SCHEMBL2818074

SCHEMBL2818074

OCCN1CCN(Cc2ccccn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.58
KDM4E B2RXH2 8/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HRH1 P35367 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 1/20 0.58
KMT2A Q03164 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.55
LMNA P02545 2/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
GFER P55789 1/20 0.52
TRPV6 Q9H1D0 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.49

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
Hydrochloric Acid SCHEMBL2971657 0.98 KDM4E (0.57) ALDH1A1KDM4ENPSR1HRH1CYP1A2
SCHEMBL11156898 0.90 KDM4E (0.56) ALDH1A1KDM4ENPSR1HRH1CYP1A2
SCHEMBL20804356 0.88 CYP1A2 (0.71) ALDH1A1KDM4ENPSR1HRH1CYP1A2
SCHEMBL29992091 0.88 CYP1A2 (0.71) ALDH1A1KDM4ENPSR1HRH1CYP1A2
SCHEMBL1333260 0.88 CYP1A2 (0.71) ALDH1A1KDM4ENPSR1HRH1CYP1A2
SCHEMBL1331974 0.88 CYP1A2 (0.71) ALDH1A1KDM4ENPSR1HRH1CYP1A2
SCHEMBL30141847 0.88 CYP1A2 (0.71) ALDH1A1KDM4ENPSR1HRH1CYP1A2
SCHEMBL25434058 0.83 CYP2C19 (0.62) ALDH1A1KDM4ENPSR1HRH1CYP1A2
SCHEMBL1306448 0.83 CYP1A2 (0.58) ALDH1A1KDM4ENPSR1HRH1CYP1A2
SCHEMBL27604951 0.83 CYP1A2 (0.58) ALDH1A1KDM4ENPSR1HRH1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170143665-A1 SYNTHESIS AND USE OF AMINE-CONTAINING FLAVONOIDS AS POTENT ANTI-LEISHMANIAL AGENTS THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2017-05-25 US disclosed
US-20170143665-A1 SYNTHESIS AND USE OF AMINE-CONTAINING FLAVONOIDS AS POTENT ANTI-LEISHMANIAL AGENTS THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2017-05-25 US disclosed
US-8623873-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2014-01-07 US disclosed
EP-1819684-B1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS INTERVET INT BV (NL) 2013-08-07 EP disclosed
US-20130072468-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS GILBERT ERIC J (US) 2013-03-21 US disclosed
EP-2548874-A2 Substituted piperazines as CB1 antagonists Intervet International B.V. (NL) 2013-01-23 EP disclosed
US-8236805-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2012-08-07 US disclosed
US-20100286160-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS INTERVET INC. 2010-11-11 US disclosed
US-20100249144-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS INTERVET INTERNATIONAL B.V. (NL) 2010-09-30 US disclosed
US-7700597-B2 Substituted piperazines as CB1 antagonists SCHERING CORPORATION (US) 2010-04-20 US disclosed
EP-2170847-A2 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS Intervet International BV (NL) 2010-04-07 EP disclosed
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists SCHERING CORPORATION 2010-02-04 US disclosed
US-20090105208-A1 Substituted Piperazines as CB1 Antagonists SCHERING CORPORATION 2009-04-23 US disclosed
WO-2009005671-A2 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS SCHERING CORPORATION (US) 2009-01-08 WO disclosed
WO-2009005645-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS SCHERING CORPORATION (US) 2009-01-08 WO disclosed
WO-2009005646-A2 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS SCHERING CORPORATION (US) 2009-01-08 WO disclosed
EP-1819684-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS SCHERING CORPORATION (US) 2007-08-22 EP disclosed
US-20060241121-A1 Substituted piperazines as CB1 antagonists MERCK SHARP & DOHME CORP. 2006-10-26 US disclosed
WO-2006060461-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS SCHERING CORPORATION (US) 2006-06-08 WO disclosed
WO-2003008559-A2 NOVEL ANALOGS OF CHOLINE FOR NEUROPROTECTION AND COGNITIVE ENHANCEMENT IN NEURODEGENERATIVE DISORDERS MEDICAL COLLEGE OF GEORGIA RESEARCH INSTITUTE (US) 2003-01-30 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 (7 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-20100286160-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS CNR1, CNR2, GPR119 ALDH1A1 1520/4885KDM4E 2473/4885NPSR1 9/4885
US-20170143665-A1 SYNTHESIS AND USE OF AMINE-CONTAINING FLAVONOIDS AS POTENT ANTI-LEISHMANIAL AGENTS HNMT, TYR, PNMT ALDH1A1 2859/4885KDM4E 418/4885NPSR1 2460/4885
US-20060241121-A1 Substituted piperazines as CB1 antagonists CNR1, CNR2, GPR119 ALDH1A1 1520/4885KDM4E 2473/4885NPSR1 9/4885
US-20130072468-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS CNR1, CNR2, GPR119 ALDH1A1 1520/4885KDM4E 2473/4885NPSR1 9/4885
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 ALDH1A1 1520/4885KDM4E 2473/4885NPSR1 9/4885
US-20090105208-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 ALDH1A1 1520/4885KDM4E 2473/4885NPSR1 9/4885
US-20100249144-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS CNR1, CNR2, GPR119 ALDH1A1 1510/4885KDM4E 2453/4885NPSR1 10/4885

“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.