SCHEMBL537823

SCHEMBL537823

c1ccc2c3c([nH]c2c1)CCCN3

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
NR2E1 Q9Y466 2/20 0.46
HTR5A P47898 1/20 0.46
NISCH Q9Y2I1 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
HSD17B10 Q99714 2/20 0.41
GPR3 P46089 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
KIF11 P52732 1/20 0.40
CHRNA7 P36544 1/20 0.39
KDR P35968 1/20 0.38

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
SCHEMBL31094930 0.89 HTR2A (0.55) KDM4EALDH1A1SMN1; SMN2HTR2AHTR2C
SCHEMBL13463193 0.77 CHUK (0.43) KDM4EALDH1A1SMN1; SMN2HPGDKIF11
SCHEMBL619090 0.76 KDR (0.60) KDM4EALDH1A1SMN1; SMN2HTR2AHTR2C
SCHEMBL27352303 0.76 KDM4E (0.46) KDM4EALDH1A1HSD17B10HPGDKDR
SCHEMBL27352062 0.76 LMNA (0.43) KDM4EHTR2AHTR2CKDR
SCHEMBL30667668 0.76 LMNA (0.43) KDM4EHTR2AHTR2CKDR
SCHEMBL29244459 0.76 PARP1 (0.41) KDR
SCHEMBL12294086 0.76 PARP1 (0.60)
SCHEMBL19037260 0.74 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2HTR2AHTR2C
SCHEMBL30293726 0.74 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2HTR2AHTR2C

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 97 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118619947-A Benzopyrrolopiperidine class compound and application thereof 晨伫(杭州)生物科技有限责任公司 2024-09-10 CN claimed
US-8969340-B2 Methods for treating chronic pelvic pain syndrome NORTHWESTERN UNIVERSITY (US) 2015-03-03 US claimed
US-20130303530-A1 METHODS FOR TREATING CHRONIC PELVIC PAIN SYNDROME WITH ANTIBODIES THAT BINDS MCP-1 OR MIP-1A NORTHWESTERN UNIVERSITY (US) 2013-11-14 US claimed
US-20110014205-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC PELVIC PAIN SYNDROME MOMENTIVE PERFORMANCE MATERIALS INC. 2011-01-20 US claimed
CN-119330982-A Azetidine compound and medical application thereof 中国科学院上海药物研究所 2025-01-21 CN disclosed
CN-118742543-A Dihydro isoquinoline compound and medical application thereof 中国科学院上海药物研究所 2024-10-01 CN disclosed
CN-118619947-A Benzopyrrolopiperidine class compound and application thereof 晨伫(杭州)生物科技有限责任公司 2024-09-10 CN disclosed
CN-118619947-A Benzopyrrolopiperidine class compound and application thereof 晨伫(杭州)生物科技有限责任公司 2024-09-10 CN disclosed
CN-118515600-A Isoindoline compound and medical application thereof 中国科学院上海药物研究所 2024-08-20 CN disclosed
CN-116789641-A Dihydro isoquinoline compound and medical application thereof 中国科学院上海药物研究所 2023-09-22 CN disclosed
WO-2023174383-A1 DIHYDROISOQUINOLINE COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2023-09-21 WO disclosed
WO-2023031308-A1 CCR2 INHIBITORS ARTICA THERAPEUTICS B.V. (NL) 2023-03-09 WO disclosed
EP-1343751-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-17 EP disclosed
US-20030060459-A1 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-03-27 US disclosed
US-20030004151-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-01-02 US disclosed
WO-2002079151-A1 3-SUBSTITUTED INDOELS OR FUSED PYRROLES AS ANTAGONISTS OF THE CHEMOKINE MCP-1 (CCR2B) RECEPTOR SMITHKLINE BEECHAM P.L.C. (GB) 2002-10-10 WO disclosed
WO-2002079190-A1 3-SUBSTITUTED INDOLES AS CHEMOKINE ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-10-10 WO disclosed
WO-2002060859-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-08 WO disclosed
WO-2002050019-A2 DIAMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB PHARMA CO. (US) 2002-06-27 WO disclosed
WO-2001014374-A2 PROCESSES FOR THE PREPRATION OF EXO- AND ENDO-INDOLOTROPANES SMITHKLINE BEECHAM P.L.C. (GB) 2001-03-01 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 (4 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-20030004151-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 KDM4E 4656/4885ALDH1A1 1095/4885SMN1; SMN2 3732/4885
US-20130303530-A1 METHODS FOR TREATING CHRONIC PELVIC PAIN SYNDROME WITH ANTIBODIES THAT BINDS MCP-1 OR MIP-1A CCR1, CCR2, CCL2 KDM4E 4479/4885ALDH1A1 518/4885SMN1; SMN2 2927/4885
US-20110014205-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC PELVIC PAIN SYNDROME CCR2, CCR1, CCL2 KDM4E 4614/4885ALDH1A1 623/4885SMN1; SMN2 2001/4885
US-20030060459-A1 Diamines as modulators of chemokine receptor activity CCL11, CCR1, CCR2 KDM4E 4236/4885ALDH1A1 296/4885SMN1; SMN2 2004/4885

“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.