SCHEMBL161444

SCHEMBL161444

CN(C)CCOc1[c]cccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.47
LTA4H P09960 2/20 0.47
HTR1B P28222 1/20 0.45
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 5/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
POLB P06746 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA2A P08913 1/20 0.41

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
SCHEMBL3125003 0.91 LSS (0.49) HTR1BALDH1A1KDM4ESMN1; SMN2HRH3
SCHEMBL930341 0.82 CYP2D6 (0.47) LTA4HALDH1A1KDM4EDRD2DRD1
SCHEMBL6238419 0.82 JAK2 (0.33) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL6553844 0.81 ESR1 (0.33) HTR7LTA4HALDH1A1TSHR
SCHEMBL6633045 0.81 LTA4H (0.49) LTA4HCHRNB2CHRNA4CHRM2CHRM1
SCHEMBL126227 0.79 ALDH1A1 (0.34) LTA4HALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL6506292 0.78 KMT2A (0.46) ALDH1A1KDM4ESMN1; SMN2DRD1LMNA
SCHEMBL7631848 0.78 SIGMAR1 (0.41) HTR7HTR1BCHRM2
SCHEMBL3122100 0.77 ALDH1A1 (0.46) LTA4HALDH1A1KDM4EDRD1CYP1A2
SCHEMBL3130677 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107879975-B Histone deacetylase inhibitor and application thereof 中国科学院上海药物研究所 2022-07-26 CN claimed
EP-2951179-B1 SPIRO-QUINAZOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROLOGICAL DISEASES AND CONDITIONS MERCK PATENT GMBH (DE) 2020-03-11 EP claimed
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-04-30 US claimed
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA TM, LLC (US) 2017-12-28 US claimed
US-9708321-B2 Spiro-quinazolinone derivatives and their use as positive allosteric modulators of mGluR4 MERCK PATENT GMBH (DE) 2017-07-18 US claimed
US-20150361079-A1 Spiro-Quinazolinone Derivatives and their Use as Positive Allosteric Modulators of mGluR4 MERCK PATENT GMBH (DE) 2015-12-17 US claimed
EP-2951179-A1 SPIRO-QUINAZOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROLOGICAL DISEASES AND CONDITIONS Merck Patent GmbH (DE) 2015-12-09 EP claimed
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2014-10-02 US claimed
WO-2014117920-A1 SPIRO-QUINAZOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROLOGICAL DISEASES AND CONDITIONS MERCK PATENT GMBH (DE) 2014-08-07 WO claimed
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US claimed
US-20040019052-A1 Pyrazolopyridines and pyrazolopyridazines as antidabetics SMITHKLINE BEECHAM P.L.C. (GB) 2004-01-29 US claimed
EP-0815859-B1 INTIMAL THICKENING INHIBITORS TAIHO PHARMACEUTICAL CO LTD (JP) 2003-06-18 EP claimed
EP-1319001-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS SMITHKLINE BEECHAM PLC (GB) 2003-06-18 EP claimed
WO-2002024694-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS SMITHKLINE BEECHAM, P.L.C. (GB) 2002-03-28 WO claimed
US-5977130-A CARDIOVASCULAR DISORDERS TAIHO PHARMEUTICAL CO., LTD. (JP) 1999-11-02 US claimed
EP-0710646-B1 1,5-Disubstituted 7a-methylperhydroinden-3a-ol derivatives, active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing them SIGMA TAU IND FARMACEUTI (IT) 1998-12-16 EP claimed
EP-0815859-A1 INTIMAL THICKENING INHIBITORS TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1998-01-07 EP claimed
EP-0710646-A1 1,5-disubstituted 7a-methylperhydroinden-3a-ol derivatives, active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing them Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1996-05-08 EP claimed
EP-0168288-B1 Aminomethyl-6-furo-[3,4-c]pyridine derivatives, process for their preparation and pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1990-04-25 EP claimed
US-3978055-A SEDATIVE, ANTIINFLAMMATORY, VASODILATION, BRONCHODILATION DELALANDE S.A. (FR) 1976-08-31 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 HTR7 3334/4885LTA4H 2761/4885HTR1B 1431/4885
US-20150361079-A1 Spiro-Quinazolinone Derivatives and their Use as Positive Allosteric Modulators of mGluR4 GRM4, GRIA4, GRIK4 HTR7 243/4885LTA4H 3546/4885HTR1B 313/4885
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 HTR7 3334/4885LTA4H 2761/4885HTR1B 1431/4885
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 HTR7 3090/4885LTA4H 2984/4885HTR1B 1332/4885
US-20040019052-A1 Pyrazolopyridines and pyrazolopyridazines as antidabetics PDXK, GCK, IAPP HTR7 1707/4885LTA4H 2800/4885HTR1B 985/4885

“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.