SCHEMBL4011215

SCHEMBL4011215

O=C(O)N1CCc2ccc(O)nc2CC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.36
ESR2 Q92731 5/20 0.34
ESR1 P03372 4/20 0.34
PTGS1 P23219 1/20 0.34
NOTUM Q6P988 1/20 0.33
DHFR P00374 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
PDGFRB P09619 2/20 0.32
HSP90AA1 P07900 2/20 0.32
HSP90AB1 P08238 2/20 0.32
ENPP2 Q13822 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
SCHEMBL23701284 0.89 ESR2 (0.36) ESR2ESR1PTGS1NOTUMNPC1
SCHEMBL28935833 0.82 GRM5 (0.37) GRM5PTGS1NOTUMDHFRNPC1
SCHEMBL4213010 0.80 FGFR4 (0.36) GRM5PTGS1MEN1MAPTKMT2A
SCHEMBL4201295 0.79 KDM4A (0.37) GRM5NOTUMNPC1RAB9AMEN1
SCHEMBL4208644 0.78 NOTUM (0.36) GRM5ESR2NOTUMMEN1MAPT
SCHEMBL4008920 0.78 GRM5 (0.53) GRM5ESR2ESR1NPC1MEN1
SCHEMBL4202771 0.78 HCAR3 (0.37) GRM5PTGS1NOTUMNPC1RAB9A
SCHEMBL4215846 0.78 HPGD (0.43) NOTUMNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4206517 0.78 GRM5 (0.33) GRM5PTGS1NOTUMDHFRNPC1
SCHEMBL30207713 0.78 ESR2 (0.55) GRM5ESR2NPC1RAB9ASMN1; SMN2

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
CN-115611925-A HPK1 inhibitors and uses thereof 轩竹生物科技股份有限公司 2023-01-17 CN disclosed
US-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2009-12-17 US disclosed
WO-2009079765-A1 COMPOUNDS WITH ACTIVITY AT THE 5-HT2C RECEPTOR CASCADE THERAPEUTICS INC. (CA) 2009-07-02 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 (1 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-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS HTR2C, HTR2A, HTR5A GRM5 25/4885ESR2 550/4885ESR1 770/4885

“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.