SCHEMBL1706642

SCHEMBL1706642

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 5/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
USP2 O75604 1/20 0.44
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
GLA P06280 1/20 0.38
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.36
CYP3A4 P08684 1/20 0.36
HIF1A Q16665 1/20 0.36

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
Hydrochloric Acid SCHEMBL25407374 0.98 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TSHRMAPK1USP2
SCHEMBL4256867 0.98 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TSHRMAPK1USP2
SCHEMBL11546415 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TSHRMAPK1USP2
SCHEMBL14549470 0.82 ALDH1A1 (0.42) ALDH1A1TSHRTP53HIF1A
SCHEMBL7159906 0.82
SCHEMBL12928715 0.81 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2TSHRMAPK1USP2
SCHEMBL22360354 0.79 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2TSHRMAPK1USP2
SCHEMBL31302979 0.79 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2TSHRMAPK1USP2
SCHEMBL2862694 0.79 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2TSHRMAPK1USP2
4-Chloroaniline SCHEMBL10577680 0.79 PHGDH (0.45) ALDH1A1SMN1; SMN2TSHRMAPK1HSD17B10

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124439-A1 Pyrido[2,3-D]Imidazole Derivatives and Their Use As Inhibitors of ITK for the Treatment of Skin Disease PFIZER INC. (US) 2024-04-18 US disclosed
WO-2023178299-A1 PRODRUGS OF GANAXOLONE MARINUS PHARMACEUTICALS, INC. (US) 2023-09-21 WO disclosed
WO-2022130175-A1 PYRIDO[2,3-D]IMIDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF ITK FOR THE TEATMENT OF SKIN DISEASE PFIZER INC. (US) 2022-06-23 WO disclosed
EP-3862023-A1 CONJUGATES OF CELL-BINDING MOLECULES WITH CYTOTOXIC AGENTS Hangzhou DAC Biotech Co, Ltd (CN) 2021-08-11 EP disclosed
US-20200172480-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-06-04 US disclosed
US-20160052898-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-25 US disclosed
EP-2976343-A2 SUBSTITUTED N-BIPHENYL-3-ACETYLAMINO-BENZAMIDES AND N-[3-(ACETYLAMINO)PHENYL]-BIPHENYL-CARBOXAMIDES AND THEIR USE AS INHIBITORS OF THE WNT SIGNALLING PATHWAY Bayer Pharma Aktiengesellschaft (DE) 2016-01-27 EP disclosed
WO-2014147182-A2 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-25 WO disclosed
US-8431610-B2 Alkanoylamino benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2013-04-30 US disclosed
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-11-29 US disclosed
US-8258316-B2 Alkanoylamino benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-09-04 US disclosed
CN-102459159-A Alkanoylamino benzamide aniline hdac inihibitor compounds GILEAD COLORADO INC 2012-05-16 CN disclosed
EP-2440519-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INIHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2012-04-18 EP disclosed
WO-2010144371-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INIHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-12-16 WO disclosed
US-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 US disclosed
WO-2010136778-A1 DIBENZOTHIOPHENE DERIVATIVES AS DNA- PK INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2010-12-02 WO disclosed
US-20090005355-A1 Piperidine Compound and Process for Preparing the Same TANABE SEIYAKU CO., LTD. (JP) 2009-01-01 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 (6 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-20200172480-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS CD4, CD2, CD47 ALDH1A1 3075/4885SMN1; SMN2 2162/4885TSHR 107/4885
US-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 ALDH1A1 339/4885SMN1; SMN2 2428/4885TSHR 3192/4885
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 ALDH1A1 339/4885SMN1; SMN2 2428/4885TSHR 3192/4885
US-20160052898-A1 NOVEL COMPOUNDS AADAC, NAT1, CCNA1 ALDH1A1 325/4885SMN1; SMN2 2465/4885TSHR 3456/4885
US-20240124439-A1 Pyrido[2,3-D]Imidazole Derivatives and Their Use As Inhibitors of ITK for the Treatment of Skin Disease ITK, PDXK, HRH4 ALDH1A1 1183/4885SMN1; SMN2 3692/4885TSHR 2788/4885
US-20090005355-A1 Piperidine Compound and Process for Preparing the Same AVPR1B, HRH4, PRLHR ALDH1A1 2868/4885SMN1; SMN2 4150/4885TSHR 71/4885

“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.