SCHEMBL8443522

SCHEMBL8443522

CCNC1CCCC(C)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.39
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
ROCK1 Q13464 1/20 0.33
FUCA1 P04066 1/20 0.32
PDGFRB P09619 1/20 0.32
PDGFRA P16234 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
SCHEMBL18687348 1.00 KCNH2 (0.39) KCNH2TSHRL3MBTL1CA12CA9
SCHEMBL24818687 1.00 KCNH2 (0.39) KCNH2TSHRL3MBTL1CA12CA9
SCHEMBL22374323 1.00 KCNH2 (0.39) KCNH2TSHRL3MBTL1CA12CA9
SCHEMBL24818693 1.00 KCNH2 (0.39) KCNH2TSHRL3MBTL1CA12CA9
SCHEMBL26048234 0.90 KCNH2 (0.35) KCNH2S1PR4S1PR1S1PR3S1PR5
SCHEMBL18687346 0.86
SCHEMBL18813878 0.86
SCHEMBL7058167 0.85 KCNH2 (0.44) KCNH2S1PR4S1PR1S1PR3S1PR5
SCHEMBL6881340 0.84 TSHR (0.36) TSHRL3MBTL1CA12CA9S1PR4
SCHEMBL14565897 0.83 S1PR4 (0.41) TSHRL3MBTL1CA12CA9S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 WO disclosed
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2017-06-22 US disclosed
US-9562011-B2 Methods of producing molindone and its salts SUPERNUS PHARMACEUTICALS, INC. (US) 2017-02-07 US disclosed
US-8383624-B2 Pyrrolopyrazine inhibitors of kinases ABBOTT LABORATORIES (US) 2013-02-26 US disclosed
US-20110015172-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 US disclosed
US-7268133-B2 Cannabinoid receptor ligands and uses thereof PFIZER, INC. PATENT DEPARTMENT (US) 2007-09-11 US disclosed
US-20040214837-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC. 2004-10-28 US disclosed
US-3984450-A HERBICIDES BASF AKTIENGESELLSCHAFT (DT) 1976-10-05 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 (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-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR KCNH2 2994/4885TSHR 3415/4885L3MBTL1 3580/4885
US-20110015172-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES CDC7, CDK7, CDK17 KCNH2 2047/4885TSHR 3427/4885L3MBTL1 2335/4885
US-20040214837-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 KCNH2 3034/4885TSHR 503/4885L3MBTL1 3865/4885

“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.