SCHEMBL13003512

SCHEMBL13003512

O=C(NC1CCN(C(=O)C2CCN(Cc3ccncc3)CC2)CC1)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 1/20 0.62
▸ KMT2A Q03164 2/20 0.59
▸ PRKAA2 P54646 1/20 0.56
▸ NPC1 O15118 1/20 0.55
▸ SIGMAR1 Q99720 1/20 0.55
▸ MCHR1 Q99705 2/20 0.54
▸ CCR8 P51685 1/20 0.54
▸ PKM P14618 1/20 0.53
▸ DRD4 P21917 1/20 0.53
▸ SLC6A12 P48065 1/20 0.53
▸ SLC6A13 Q9NSD5 1/20 0.53

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
SCHEMBL13003507 0.84 SIGMAR1 (0.57) PRKAA2SIGMAR1MCHR1SLC6A12
SCHEMBL8223176 0.83 CCR8 (0.60) KMT2ACCR8
SCHEMBL14456739 0.83 CCR8 (0.60) KMT2ACCR8
SCHEMBL14456815 0.81 TP53 (0.60) KMT2A
SCHEMBL6507394 0.80 CCR8 (0.78) CCR3KMT2APRKAA2NPC1SIGMAR1
SCHEMBL13003502 0.80 CXCR4 (0.73) PRKAA2SIGMAR1DRD4SLC6A12SLC6A13
SCHEMBL14624958 0.80 DRD4 (0.57) KMT2ASIGMAR1MCHR1DRD4SLC6A12
SCHEMBL13003517 0.79 CYP3A4 (0.61) SIGMAR1
SCHEMBL13003522 0.79 PRKAB2 (0.53) PRKAA2NPC1
SCHEMBL13003509 0.78 DRD4 (0.71) DRD4

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 10 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-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-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
EP-1902046-B1 PIPERIDINE DERIVATIVES USEFUL AS HISTAMINE H3 ANTAGONISTS SCHERING CORP (US) 2009-12-02 — — EP disclosed
US-20090286830-A1 HETEROATOM-LINKED SUBSTITUTED PIPERIDINES AND DERIVATIVES THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS SCHERING CORPORATION 2009-11-19 — — 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
US-20070015807-A1 Heteroatom-linked substituted piperidines and derivatives thereof useful as histamine H3 antagonists SCHERING CORPORATION 2007-01-18 — — US disclosed
WO-2007001975-A1 PIPERIDINE DERIVATIVES USEFUL AS HISTAMINE H3 ANTAGONISTS SCHERING CORPORATION (US) 2007-01-04 — — 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 (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 CCR3 125/4885KMT2A 607/4885PRKAA2 3446/4885
US-20090286830-A1 HETEROATOM-LINKED SUBSTITUTED PIPERIDINES AND DERIVATIVES THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS HRH3, HRH4, CHRM2 CCR3 125/4885KMT2A 607/4885PRKAA2 3446/4885

“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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