SCHEMBL4040222

SCHEMBL4040222

CN1CCC(C(=O)c2cc[c]cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTR1F P30939 5/20 0.45
KCNH2 Q12809 1/20 0.44
HTR2A P28223 2/20 0.44
POLB P06746 1/20 0.44
HSD11B1 P28845 3/20 0.44
MGLL Q99685 1/20 0.44
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.42
HTR6 P50406 1/20 0.42

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
SCHEMBL21590303 0.90 MEN1 (0.45) MEN1KMT2AKCNH2POLBHSD11B1
SCHEMBL232050 0.83 NPC1 (0.47) MEN1KMT2AHTR2APOLBHSD11B1
SCHEMBL2552838 0.82 HTR2A (0.62) MEN1KMT2AKCNH2HTR2AHSD11B1
SCHEMBL21590150 0.82 KMT2A (0.44) MEN1KMT2APOLBHSD11B1MGLL
SCHEMBL28416394 0.81 HTR1F (0.46) MEN1KMT2AHTR1FKCNH2HTR2A
SCHEMBL13944389 0.81 SRD5A2 (0.57) MEN1KMT2AHTR1FKCNH2HTR2A
SCHEMBL28203216 0.81 KMT2A (0.71) MEN1KMT2AKCNH2HSD11B1MGLL
SCHEMBL27514751 0.80 SRD5A2 (0.50) MEN1KMT2AHSD11B1MGLL
SCHEMBL5214996 0.80 SRD5A2 (0.55) MEN1KMT2AHSD11B1MGLLLMNA
SCHEMBL3391936 0.79 HSD11B1 (0.69) HTR1FHTR2APOLBHSD11B1MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP claimed
CN-100391958-C Compound (I) AVENTIS PHARMA SA (FR) 2008-06-04 CN claimed
CN-1556807-A Chemical compounds �㶫��������ҽҩ�ɷ����޹�˾ 2004-12-22 CN claimed
EP-1436291-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS Aventis Pharma S.A. (FR) 2004-07-14 EP claimed
WO-2003024967-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-03-27 WO claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed
CN-100391958-C Compound (I) AVENTIS PHARMA SA (FR) 2008-06-04 CN disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
US-7148215-B2 Prodrugs as antihistamines or anticarcinogenic agents AVENTIS PHARMA S.A. (FR) 2006-12-12 US disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 US disclosed
CN-1556807-A Chemical compounds �㶫��������ҽҩ�ɷ����޹�˾ 2004-12-22 CN disclosed
EP-1436291-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS Aventis Pharma S.A. (FR) 2004-07-14 EP disclosed
WO-2003024967-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-03-27 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 (2 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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 MEN1 3865/4885KMT2A 2686/4885HTR1F 3077/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS MEN1 3716/4885KMT2A 1910/4885HTR1F 1600/4885

“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.