SCHEMBL349709

SCHEMBL349709

O=CCCc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.55
HRH3 Q9Y5N1 1/20 0.50
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48
ALOX15 P16050 1/20 0.48
CYP1A2 P05177 4/20 0.47
CYP2C19 P33261 2/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL4812712 0.88 HRH1 (0.55) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL29263731 0.86 HRH1 (0.58) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL29263644 0.85 HRH1 (0.61) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL15525892 0.81 HRH1 (0.57) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL230753 0.79 HRH1 (0.73) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL29485678 0.79 HRH1 (0.73) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL2508761 0.79 HRH1 (0.55) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL6159427 0.79 HRH1 (0.55) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL6758748 0.79 HRH1 (0.55) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL6765343 0.79 HRH1 (0.55) HRH1HRH3ALDH1A1LMNATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024204554-A1 SPIROCYCLIC MORPHINAN DERIVATIVE 日本ケミファ株式会社 2024-10-03 WO claimed
CN-110713854-A Polyether oxygen-containing cleaning synergist composition for cleaning gasoline 上海金山廊林实业有限公司 2020-01-21 CN claimed
US-20120277164-A1 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2012-11-01 US claimed
EP-2491051-A2 GADD45BETA TARGETING AGENTS Imperial Innovations Limited (GB) 2012-08-29 EP claimed
WO-2011048390-A2 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2011-04-28 WO claimed
US-7666866-B2 Antithrombotic diamides ELI LILLY AND COMPANY (US) 2010-02-23 US claimed
EP-1819693-B1 ANTITHROMBOTIC DIAMIDES LILLY CO ELI (US) 2009-08-26 EP claimed
US-20090062271-A1 Antithrombotic Diamides ELI LILLY AND COMPANY (US) 2009-03-05 US claimed
EP-1819693-A1 ANTITHROMBOTIC DIAMIDES ELI LILLY AND COMPANY (US) 2007-08-22 EP claimed
WO-2006057868-A1 ANTITHROMBOTIC DIAMIDES ELI LILLY AND COMPANY (US) 2006-06-01 WO claimed
US-5939268-A DIELS-ALDER REACTION PRODUCT OF A DIENE AND A DIENOPHILE; CHEMICAL INTERMEDIATES FOR DRUGS, SOLID PHASE SYNTHESIS THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US claimed
EP-0773953-A1 COMBINATORIAL LIBRARIES OF MOLECULES AND METHODS FOR PRODUCING SAME THE SCRIPPS INSTITUTE (US) 1997-05-21 EP claimed
WO-1996003424-A1 COMBINATORIAL LIBRARIES OF MOLECULES AND METHODS FOR PRODUCING SAME THE SCRIPPS RESEARCH INSTITUTE (US) 1996-02-08 WO claimed
CN-1093701-A Antiretroviral hydrazine derivative CIBA GEIGY AG (CH) 1994-10-19 CN claimed
EP-0480918-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1992-04-22 EP claimed
EP-0480918-A4 REDUCED SIZE LHRH ANALOGS. ABBOTT LAB (US) 1991-06-04 EP claimed
US-4873362-A REACTING AN ACYLOXYACETALDEHYDE WITH AN ALDEHYDE USING AN AMINE AND ACID CATALYST SYSTEM BASF AKTIENGESELLSCHAFT (DE) 1989-10-10 US claimed
WO-1989007451-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1989-08-24 WO claimed
CN-119930620-A Tetrafused ring compound, preparation method, pharmaceutical composition and application thereof 和径医药科技(上海)有限公司 2025-05-06 CN disclosed
US-3996164-A FROM COBALT CARBONYL AND A PYRIDINE AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JA) 1976-12-07 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 (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-20090062271-A1 Antithrombotic Diamides TFPI, SERPINC1, TFPI2 HRH1 2172/4885HRH3 3302/4885ALDH1A1 407/4885
US-20120277164-A1 GADD45BETA TARGETING AGENTS DDB1, CCL2, DDIT3 HRH1 4432/4885HRH3 4489/4885ALDH1A1 3663/4885

“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.