SCHEMBL6960913

SCHEMBL6960913

CC(C)CC(=O)NCCN1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
TP53 P04637 1/20 0.64
TSHR P16473 2/20 0.55
POLB P06746 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 2/20 0.51
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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 SCHEMBL7427148 0.98 SMN1; SMN2 (0.62) SMN1; SMN2TP53TSHRPOLBTDP1
SCHEMBL8252118 0.91 TP53 (0.79) SMN1; SMN2TP53ALDH1A1
SCHEMBL19919908 0.86 TSHR (0.55) SMN1; SMN2TP53TSHRPOLBTDP1
SCHEMBL20903627 0.86 TSHR (0.55) SMN1; SMN2TP53TSHRPOLBTDP1
SCHEMBL6709378 0.85 TSHR (0.50) SMN1; SMN2TP53TSHRPOLBTDP1
SCHEMBL7366845 0.85 TSHR (0.50) SMN1; SMN2TP53TSHRPOLBTDP1
SCHEMBL12932409 0.85 SMN1; SMN2 (0.70) SMN1; SMN2TP53KMT2AALDH1A1BCHE
SCHEMBL13981856 0.84 TSHR (0.56) SMN1; SMN2TSHRPOLBTDP1KMT2A
SCHEMBL15025226 0.84 POLB (0.49) SMN1; SMN2TP53TSHRPOLBTDP1
SCHEMBL10602511 0.83 TSHR (0.49) SMN1; SMN2TP53TSHRPOLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802132-B2 Small molecules for inducing selective protein degradation and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-31 US disclosed
US-20210206779-A9 CYANO THIENOTRIAZOLODIAZEPINES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-07-08 US disclosed
US-10913761-B2 2,7-dibromospiro[fluorene-9,4′-piperidine] compounds VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-09 US disclosed
US-20200407371-A1 SMALL MOLECULES FOR INDUCING SELECTIVE PROTEIN DEGRADATION AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-31 US disclosed
US-20200270293-A1 Mannose Derivatives for Treating Bacterial Infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2020-08-27 US disclosed
US-20200199150-A1 CYANO THIENOTRIAZOLODIAZEPINES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-25 US disclosed
US-9598454-B2 Mannose derivatives for treating bacterial infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-03-21 US disclosed
US-8349857-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2013-01-08 US disclosed
US-8202879-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-06-19 US disclosed
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-17 US disclosed
US-7786122-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-31 US disclosed
US-7786122-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-31 US disclosed
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2009-06-04 US disclosed
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-04-10 US disclosed
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-04-10 US disclosed
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 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 (9 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-20210206779-A9 CYANO THIENOTRIAZOLODIAZEPINES AND USES THEREOF BRDT, BRD4, BRD3 SMN1; SMN2 4697/4885TP53 1072/4885TSHR 361/4885
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity ERBB2, EGFR, ABL1 SMN1; SMN2 4182/4885TP53 966/4885TSHR 106/4885
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS APP, APBA1, BACE1 SMN1; SMN2 675/4885TP53 1793/4885TSHR 3476/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 SMN1; SMN2 4182/4885TP53 966/4885TSHR 106/4885
US-10913761-B2 2,7-dibromospiro[fluorene-9,4′-piperidine] compounds DHPS, CFTR, FDPS SMN1; SMN2 2744/4885TP53 3556/4885TSHR 3694/4885
US-20200407371-A1 SMALL MOLECULES FOR INDUCING SELECTIVE PROTEIN DEGRADATION AND USES THEREOF BAZ2A, BRD3, BRPF3 SMN1; SMN2 3849/4885TP53 345/4885TSHR 2931/4885
US-11802132-B2 Small molecules for inducing selective protein degradation and uses thereof BAZ2A, BRD3, BRPF3 SMN1; SMN2 3849/4885TP53 345/4885TSHR 2931/4885
US-20200270293-A1 Mannose Derivatives for Treating Bacterial Infections MPI, MANBA, MAN2A1 SMN1; SMN2 3742/4885TP53 4755/4885TSHR 4513/4885
US-20200199150-A1 CYANO THIENOTRIAZOLODIAZEPINES AND USES THEREOF BRDT, BRD4, BRD3 SMN1; SMN2 4697/4885TP53 1072/4885TSHR 361/4885

“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.