SCHEMBL13003995

SCHEMBL13003995

CB(O)Nc1cc(CN2CCC(C)(F)CC2)ccn1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 12/20 0.36
▸ HRH3 Q9Y5N1 3/20 0.35
▸ ACKR3 P25106 2/20 0.35
▸ PDGFRB P09619 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CDK5 Q00535 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ CCR3 P51677 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL12409965 0.86 KDR (0.36) KDRHRH3ACKR3CYP3A4CYP2D6
SCHEMBL12893522 0.78 KDR (0.46) KDR
SCHEMBL13319465 0.77 ACKR3 (0.46) KDRACKR3CDK5DYRK1ACDK5R1
SCHEMBL13003255 0.77 ACKR3 (0.46) KDRHRH3ACKR3CCR3
SCHEMBL12409942 0.77 KDR (0.42) KDRACKR3CDK5DYRK1ACDK5R1
SCHEMBL13600348 0.73 GPR183 (0.53) KDRALDH1A1
SCHEMBL13003443 0.72 RECQL (0.46) CDK5DYRK1ACDK5R1ALDH1A1
SCHEMBL14007697 0.72 PKM (0.46) ALDH1A1
SCHEMBL13392438 0.66 IGF1R (0.48) HRH3ACKR3DYRK1A
SCHEMBL2708329 0.65 SIGMAR1 (0.61) CYP3A4CYP2D6CCR3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7846946-B2 Heteroatom-linked substituted piperidines and derivatives thereof useful as histamine H3 antagonists SCHERING PLOUGH CORPORATION (US) 2010-12-07 — — US disclosed
US-7635705-B2 treating allergy-induced airway responses, congestion, obesity, metabolic syndrome, alcoholic fatty liver disease, hepatic steatosis, nonalcoholic steatohepatitis, cirrhosis, hepatacellular carcinoma and cognition deficit disorders; histamine H3 antagonists SCHERING CORPORATION (US) 2009-12-22 — — US disclosed
US-20090286830-A1 HETEROATOM-LINKED SUBSTITUTED PIPERIDINES AND DERIVATIVES THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS SCHERING CORPORATION 2009-11-19 — — US disclosed
US-20070015807-A1 Heteroatom-linked substituted piperidines and derivatives thereof useful as histamine H3 antagonists SCHERING CORPORATION 2007-01-18 — — 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-20070015807-A1 Heteroatom-linked substituted piperidines and derivatives thereof useful as histamine H3 antagonists HRH3, HRH4, CHRM2 KDR 3700/4885HRH3 1/4885ACKR3 96/4885
US-20090286830-A1 HETEROATOM-LINKED SUBSTITUTED PIPERIDINES AND DERIVATIVES THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS HRH3, HRH4, CHRM2 KDR 3700/4885HRH3 1/4885ACKR3 96/4885

“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.

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