SCHEMBL10263100

SCHEMBL10263100

CCCN1CCC2(CCNCC2)C1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
KDM1A O60341 1/20 0.46
MAOB P27338 1/20 0.46
RCOR1 Q9UKL0 1/20 0.46
ALDH1A1 P00352 3/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 2/20 0.41
CYP2C9 P11712 2/20 0.41
KMT2A Q03164 2/20 0.41
HIF1A Q16665 1/20 0.41
CYP2D6 P10635 8/20 0.41
HPGD P15428 1/20 0.39
CYP3A4 P08684 3/20 0.39
USP2 O75604 2/20 0.38
OPRM1 P35372 2/20 0.38
OPRL1 P41146 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ALOX15 P16050 1/20 0.36
TP53 P04637 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
SCHEMBL10263353 0.88 TSHR (0.50) TSHRKDM1AMAOBRCOR1ALDH1A1
SCHEMBL347130 0.86 TSHR (0.47) TSHRKDM1AMAOBRCOR1ALDH1A1
SCHEMBL24841879 0.86 OPRM1 (0.45) TSHROPRM1OPRL1
SCHEMBL3811219 0.84 TSHR (0.76) TSHRKDM1AMAOBRCOR1ALDH1A1
SCHEMBL9851585 0.82 TSHR (0.53) TSHRKDM1AMAOBRCOR1ALDH1A1
SCHEMBL25622445 0.82 OPRM1 (0.40) TSHRCYP2D6OPRM1OPRL1
SCHEMBL27397821 0.82 OPRM1 (0.43) TSHROPRM1OPRL1
SCHEMBL22958640 0.82 OPRM1 (0.40) TSHRCYP2D6OPRM1OPRL1
SCHEMBL23135107 0.81 TSHR (0.61) TSHRKDM1AMAOBRCOR1ALDH1A1
SCHEMBL23588710 0.80 TSHR (0.47) TSHRKDM1AMAOBRCOR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340577-A1 GCN2 INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2022-10-27 US disclosed
US-20190127373-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2019-05-02 US disclosed
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-04-05 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-20190127373-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF TSHR 1622/4885KDM1A 1159/4885MAOB 2043/4885
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS MTOR, PIK3CA, PI4KA TSHR 990/4885KDM1A 1231/4885MAOB 4261/4885
US-20220340577-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR TSHR 4808/4885KDM1A 4287/4885MAOB 2685/4885

“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.