SCHEMBL800634

SCHEMBL800634

CC(C)(C)C(=O)N1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA9 Q16790 1/20 0.48
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 1/20 0.45
TSHR P16473 1/20 0.45
MMP1 P03956 1/20 0.45
MMP3 P08254 1/20 0.45
MMP8 P22894 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8749086 1.00 SMN1; SMN2 (0.55) SMN1; SMN2USP2ALDH1A1CA12CA1
SCHEMBL8749144 0.98 SMN1; SMN2 (0.58) SMN1; SMN2USP2ALDH1A1CA12CA1
SCHEMBL8749227 0.98 SMN1; SMN2 (0.58) SMN1; SMN2USP2ALDH1A1CA12CA1
SCHEMBL8749221 0.98 SMN1; SMN2 (0.58) SMN1; SMN2USP2ALDH1A1CA12CA1
SCHEMBL8749184 0.98 SMN1; SMN2 (0.58) SMN1; SMN2USP2ALDH1A1CA12CA1
SCHEMBL8749056 0.98 SMN1; SMN2 (0.58) SMN1; SMN2USP2ALDH1A1CA12CA1
SCHEMBL8748995 0.98 SMN1; SMN2 (0.58) SMN1; SMN2USP2ALDH1A1CA12CA1
SCHEMBL8749185 0.98 SMN1; SMN2 (0.58) SMN1; SMN2USP2ALDH1A1CA12CA1
SCHEMBL12442950 0.92 MEN1 (0.50) SMN1; SMN2USP2ALDH1A1CA12CA1
SCHEMBL16886301 0.92 MEN1 (0.61) SMN1; SMN2USP2ALDH1A1MEN1TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 548 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216378-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2024-07-04 US disclosed
US-20240208987-A1 EXATECAN-DERIVED ADC LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-06-27 US disclosed
US-20240208987-A1 EXATECAN-DERIVED ADC LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-06-27 US disclosed
WO-2024020458-A1 METHOD OF TREATING ORGAN DISEASES OR DISORDERS WITH ASK1 INHIBITORS Seal Rock Therapeutics, Inc. (US) 2024-01-25 WO disclosed
US-20240018151-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2024-01-18 US disclosed
US-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2023-11-09 US disclosed
US-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2023-11-09 US disclosed
US-20230348493-A1 COMPOUND FOR ADJUSTING ACTIVITY OF NMDA RECEPTOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF BEIJING GREATWAY PHARMACEUTICAL TECHNOLOGY CO. LTD. (CN) 2023-11-02 US disclosed
US-20230348493-A1 COMPOUND FOR ADJUSTING ACTIVITY OF NMDA RECEPTOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF BEIJING GREATWAY PHARMACEUTICAL TECHNOLOGY CO. LTD. (CN) 2023-11-02 US disclosed
US-20230339964-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS NUVATION BIO INC (US) 2023-10-26 US disclosed
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 US disclosed
WO-2007047496-A2 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-04-26 WO disclosed
US-7205324-B2 Inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-7205324-B2 Inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-7202381-B2 Compounds as opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2007-04-10 US disclosed
US-7202381-B2 Compounds as opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2007-04-10 US disclosed
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION 2007-02-22 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
US-20040180886-A1 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-09-16 US disclosed
US-20040180886-A1 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-09-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230348493-A1 COMPOUND FOR ADJUSTING ACTIVITY OF NMDA RECEPTOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF GRIN1, GRIN3A, GRIN2C SMN1; SMN2 567/4885USP2 4692/4885ALDH1A1 3847/4885
US-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF ATG7, GOT1, LIPC SMN1; SMN2 3760/4885USP2 126/4885ALDH1A1 295/4885
US-20240208987-A1 EXATECAN-DERIVED ADC LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF ADCY3, ADCY8, ADCY7 SMN1; SMN2 932/4885USP2 3647/4885ALDH1A1 819/4885
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 SMN1; SMN2 4550/4885USP2 3750/4885ALDH1A1 1649/4885
US-20040180886-A1 Cathepsin S inhibitors CTSS, CTSB, CTSZ SMN1; SMN2 4126/4885USP2 782/4885ALDH1A1 2916/4885
US-20230339964-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS BET1, BRD4, BRD3 SMN1; SMN2 2600/4885USP2 1941/4885ALDH1A1 4239/4885
US-20240018151-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME PIKFYVE, PIK3CD, PIK3R5 SMN1; SMN2 3216/4885USP2 1986/4885ALDH1A1 4878/4885
US-20240216378-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF EZH2, DOT1L, EED SMN1; SMN2 240/4885USP2 2566/4885ALDH1A1 529/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE SMN1; SMN2 4559/4885USP2 2600/4885ALDH1A1 1472/4885
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands CDKL2, CDK2, CDKL1 SMN1; SMN2 2211/4885USP2 1113/4885ALDH1A1 4225/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.