SCHEMBL4042348

SCHEMBL4042348

CN1CCCN(C(=O)c2c[c]ccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
POLB P06746 3/20 0.57
CHKA P35790 1/20 0.51
HPGD P15428 5/20 0.50
HRH3 Q9Y5N1 1/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
TSHR P16473 1/20 0.47
HRH4 Q9H3N8 1/20 0.46
GRM5 P41594 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALOX15 P16050 1/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL1298702 0.94 POLB (0.54) KMT2APOLBHPGDHRH3MEN1
SCHEMBL1921183 0.89 HPGD (0.55) KMT2APOLBHPGDMEN1SMN1; SMN2
SCHEMBL1298628 0.86 HPGD (0.59) KMT2APOLBHPGDMEN1SMN1; SMN2
SCHEMBL1920680 0.86 ALDH1A1 (0.49) KMT2APOLBHPGDMEN1TSHR
SCHEMBL1298971 0.85 HPGD (0.62) KMT2APOLBHPGDMEN1TSHR
SCHEMBL3037464 0.82 KMT2A (0.68) KMT2APOLBCHKAHPGDHRH3
SCHEMBL7002476 0.82 HSP90AA1 (0.44) KMT2AHPGDHRH3
SCHEMBL10293599 0.82 POLB (0.71) KMT2APOLBCHKAHPGDMEN1
SCHEMBL28292825 0.81 L3MBTL3 (0.59) KMT2APOLBSMN1; SMN2
SCHEMBL4796951 0.77 SIGMAR1 (0.58) HPGDHRH3HRH4

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
CN-113135922-A Azacycloheptane [4,3,2-cd ] isoindol-2-one derivatives and application thereof 中国药科大学 2021-07-20 CN claimed
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP 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
CN-113135922-A Azacycloheptane [4,3,2-cd ] isoindol-2-one derivatives and application thereof 中国药科大学 2021-07-20 CN disclosed
CN-111377923-A Pyrido [3',2':6, 7] azepino [4,3,2-cd ] isoindolone derivatives and application thereof 中国药科大学 2020-07-07 CN disclosed
EP-2051710-A2 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES Bausch & Lomb Incorporated (US) 2009-04-29 EP disclosed
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed
WO-2008021729-A2 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES BAUSCH & LOMB INCORPORATED (US) 2008-02-21 WO 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
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 KMT2A 2686/4885POLB 2141/4885CHKA 706/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS KMT2A 1910/4885POLB 2885/4885CHKA 397/4885

“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.