SCHEMBL315161

SCHEMBL315161

Cc1cccc(N2CCNC(C)C2)c1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.63
KHK P50053 3/20 0.54
NOTUM Q6P988 1/20 0.51
MAPT P10636 3/20 0.46
KCNH2 Q12809 2/20 0.45
ALOX5 P09917 3/20 0.43
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL28794168 0.83 KHK (0.46) ADRB1KHKMAPTALDH1A1
SCHEMBL2245201 0.83 HTR3E (0.61) ADRB1KHKNOTUMMAPTALOX5
SCHEMBL12892626 0.83 HTR3E (0.61) ADRB1KHKNOTUMMAPTALOX5
SCHEMBL8109027 0.83 KHK (0.50) ADRB1KHKMAPT
SCHEMBL4240000 0.83 HTR3E (0.61) ADRB1KHKNOTUMMAPTALOX5
SCHEMBL30208090 0.83 HTR3E (0.61) ADRB1KHKNOTUMMAPTALOX5
SCHEMBL23711775 0.82 KHK (0.55) ADRB1KHKMAPTALDH1A1RAB9A
SCHEMBL31279241 0.82 KHK (0.55) ADRB1KHKMAPTALDH1A1RAB9A
Hydrochloric Acid SCHEMBL20139242 0.81 HTR3E (0.59) ADRB1KHKNOTUMMAPTALOX5
SCHEMBL2873025 0.81 ADRB1 (0.65) ADRB1KHKMAPTKCNH2ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234992-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2012-02-22 EP disclosed
US-8093248-B2 Compounds useful for the treatment of conditions associated with weight gain ASTRAZENECA AB (PUBL) (SE) 2012-01-10 US disclosed
EP-2234992-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS AstraZeneca AB (SE) 2010-10-06 EP disclosed
US-20090281087-A1 Compounds II BIOVITRUM AB (SE) 2009-11-12 US disclosed
WO-2009071668-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS BIOVITRUM AB (PUBL) (SE) 2009-06-11 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 (1 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-20090281087-A1 Compounds II GPR119, FABP4, LIPC ADRB1 225/4885KHK 2803/4885NOTUM 1148/4885

“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.