SCHEMBL1776883

SCHEMBL1776883

c1ccc(-c2cn(C[C@@H]3CCCCN3)cn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM2B Q8NHM5 1/20 0.57
▸ POLB P06746 1/20 0.46
▸ LTA4H P09960 7/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ HTR1D P28221 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ HRH1 P35367 1/20 0.45
▸ ADRA1B P35368 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ MERTK Q12866 1/20 0.43
▸ CACNA2D1 P54289 1/20 0.40
▸ CACNA1B Q00975 1/20 0.40
▸ CACNB1 Q02641 1/20 0.40
▸ HPGDS O60760 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD3 P35462 1/20 0.39

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
SCHEMBL1776882 1.00 KDM2B (0.57) KDM2BPOLBLTA4HHTR1AHTR1D
SCHEMBL16034569 0.72 KDM2B (1.00) KDM2BKDM4C
SCHEMBL13363854 0.72 NPC1 (0.63) MERTKNPC1RAB9A
SCHEMBL12677853 0.72 PDE10A (0.48) POLBLTA4HHTR1AHTR1DHTR2A
SCHEMBL24955627 0.71 KDM2B (0.44) KDM2BHPGDSNPC1RAB9APDE10A
SCHEMBL22761664 0.70 MERTK (0.44) KDM2BPOLBLTA4HHTR1AHTR1D
SCHEMBL1778699 0.70 DRD2 (0.49) HPGDSNPC1RAB9ADRD2DRD4
SCHEMBL1778701 0.70 DRD2 (0.49) HPGDSNPC1RAB9ADRD2DRD4
SCHEMBL2581577 0.69 POLB (0.43) POLBLTA4HHTR1AHTR1DHTR2A
SCHEMBL2910946 0.68 CYP2E1 (0.67) HPGDSNPC1RAB9APDE10ADRD2

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
US-7943645-B2 Piperidine compounds for use as orexin receptor antagonist SMITHKLINE BEECHAM LIMITED (GB) 2011-05-17 — — US disclosed
US-20090082390-A1 PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM P.L.C. 2009-03-26 — — US disclosed
US-7423052-B2 Piperidine compounds for use as orexin receptor antagoinst SMITHKLINE BEECHAM P.L.C. (GB) 2008-09-09 — — US disclosed
EP-1406897-B1 COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2007-03-14 — — EP disclosed
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist SMITHKLINE BEECHAM LIMITED (GB) 2004-10-28 — — 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-20090082390-A1 PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST HCRTR2, HCRTR1, OXTR KDM2B 1313/4885POLB 4624/4885LTA4H 930/4885
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist HCRTR2, HCRTR1, OXTR KDM2B 1106/4885POLB 4779/4885LTA4H 990/4885

“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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