SCHEMBL19256651

SCHEMBL19256651

CC(C)n1cc2c(n1)CCC2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.40
HTT P42858 2/20 0.39
GAA P10253 1/20 0.38
AADAT Q8N5Z0 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 3/20 0.34
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
KDM5A P29375 1/20 0.33
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL12250991 0.96 HDAC8 (0.43) HDAC8HTTGAAAADATRAB9A
SCHEMBL23641909 0.80 HTR2C (0.35) HDAC8AADATSMN1; SMN2POLB
SCHEMBL16210393 0.76 HTR2C (0.42) AADATSMN1; SMN2POLB
SCHEMBL22509497 0.76 HRH3 (0.34) HDAC8AADATTSHR
SCHEMBL21525508 0.76 HTT (0.50) HDAC8HTTGAARAB9ANPC1
SCHEMBL21743277 0.74 AADAT (0.33) AADAT
SCHEMBL20117307 0.74 MAOA (0.40) AADAT
SCHEMBL24329407 0.74 AADAT (0.33) AADAT
SCHEMBL20312842 0.74 HTR2C (0.41) AADATSMN1; SMN2POLB
SCHEMBL21672755 0.74 AADAT (0.33) AADAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348456-A1 QUINAZOLINONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2023-11-02 US disclosed
US-20230348456-A1 QUINAZOLINONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2023-11-02 US disclosed
WO-2023279986-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2023-01-12 WO disclosed
EP-3414240-B1 SUBSTITUTED IMIDAZOLYL-CARBOXAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2019-12-25 EP disclosed
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors GENENTECH, INC. (US) 2018-07-17 US disclosed
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors GENENTECH, INC. (US) 2018-07-17 US disclosed
US-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
WO-2017137337-A1 SUBSTITUTED IMIDAZOLYL-CARBOXAMIDES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-08-17 WO 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 (3 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-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS KDM5A, KDM5C, KDM5B HDAC8 57/4885HTT 686/4885GAA 551/4885
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors KDM5A, KDM5C, KDM1B HDAC8 60/4885HTT 768/4885GAA 526/4885
US-20230348456-A1 QUINAZOLINONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME CSNK1A1, CSNK1G1, CSNK1G3 HDAC8 1211/4885HTT 2446/4885GAA 2579/4885

“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.