SCHEMBL161004

SCHEMBL161004

[c]1cccc(CN2CCCCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.55
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
CYP2D6 P10635 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP2C19 P33261 1/20 0.50
HRH4 Q9H3N8 1/20 0.50
KDM4E B2RXH2 2/20 0.48
PRMT6 Q96LA8 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
GAA P10253 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
CYP2C9 P11712 1/20 0.45
HIF1A Q16665 1/20 0.45
NCF1 P14598 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL27729240 0.98 HRH3 (0.53) HRH3ALDH1A1SMN1; SMN2CYP2D6TDP1
SCHEMBL845155 0.98 HRH3 (0.52) HRH3ALDH1A1SMN1; SMN2CYP2D6TDP1
SCHEMBL27729397 0.96 HRH3 (0.50) HRH3ALDH1A1SMN1; SMN2CYP2D6TDP1
SCHEMBL23113743 0.94 HRH3 (0.47) HRH3ALDH1A1SMN1; SMN2CYP2D6TDP1
SCHEMBL27801847 0.93 SMN1; SMN2 (0.49) HRH3ALDH1A1SMN1; SMN2CYP2D6TDP1
SCHEMBL27724955 0.91 SMN1; SMN2 (0.46) HRH3ALDH1A1SMN1; SMN2CYP2D6TDP1
SCHEMBL2476102 0.82 SIGMAR1 (0.62) HRH3ALDH1A1TDP1CYP2C19SIGMAR1
SCHEMBL62595 0.82 HRH3 (0.53) HRH3ALDH1A1SMN1; SMN2KDM4ESIGMAR1
SCHEMBL2964350 0.82 MEN1 (0.53) ALDH1A1KDM4ESIGMAR1POLB
SCHEMBL61472 0.82 MC4R (0.62) ALDH1A1HRH4KDM4EPRMT6SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. 2020-09-15 US 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-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2014-10-02 US claimed
CN-103384668-A Novel compounds and compositions for inhibiting NAMPT FORMA THERAPEUTICS INC 2013-11-06 CN claimed
EP-2611804-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Forma TM, LLC. (US) 2013-07-10 EP claimed
US-8394795-B2 Pyrazole [3, 4-B] pyridine Raf inhibitors ARRAY BIOPHARMA INC. (US) 2013-03-12 US claimed
US-8354407-B2 2-anilino-4-(heterocyclic)amino-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 US claimed
EP-2265610-B1 PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC (US) 2012-12-12 EP claimed
WO-2012031197-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO claimed
EP-0180298-B1 PYRIMIDINE COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-09-25 EP claimed
US-4808589-A Pyrimidone derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-02-28 US claimed
EP-0134096-B1 AMINOPYRIMIDINONE DERIVATIVES AS HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-02-01 EP claimed
US-4694008-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-09-15 US claimed
EP-0180298-A2 Pyrimidine compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-05-07 EP claimed
EP-0169969-A2 Sulphamoylguanidine derivatives HOECHST UK LIMITED (GB) 1986-02-05 EP claimed
EP-0159533-A2 Thiatriazine derivatives HOECHST UK LIMITED (GB) 1985-10-30 EP claimed
EP-0134096-A2 Aminopyrimidinone derivatives as histamine H2-antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-03-13 EP claimed
EP-0104611-A2 Thiatriazine derivatives HOECHST UK LIMITED (GB) 1984-04-04 EP claimed
EP-0087274-A2 Pyrimidone derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-08-31 EP 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 (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-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 HRH3 1402/4885ALDH1A1 1273/4885SMN1; SMN2 1497/4885
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 HRH3 1402/4885ALDH1A1 1273/4885SMN1; SMN2 1497/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 HRH3 1764/4885ALDH1A1 994/4885SMN1; SMN2 1001/4885
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 HRH3 1764/4885ALDH1A1 994/4885SMN1; SMN2 1001/4885

“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.