SCHEMBL1778699

SCHEMBL1778699

c1ccc(CN2CCCCC2Cn2cnc(-c3ccccc3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.49
▸ DRD4 P21917 2/20 0.49
▸ DRD3 P35462 2/20 0.49
▸ HPGDS O60760 1/20 0.47
▸ CYP2E1 P05181 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2A6 P11509 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2B6 P20813 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ SPHK2 Q9NRA0 2/20 0.42
▸ SPHK1 Q9NYA1 2/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ FAAH O00519 3/20 0.41
▸ ABHD6 Q9BV23 3/20 0.40
▸ DAGLA Q9Y4D2 3/20 0.40

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
SCHEMBL1778701 1.00 DRD2 (0.49) DRD2DRD4DRD3HPGDSCYP2E1
SCHEMBL6666227 0.91 DRD2 (0.42) DRD2DRD4DRD3HPGDSCYP2E1
SCHEMBL1346083 0.74 HPGDS (0.77) DRD2DRD4DRD3HPGDSCYP2E1
SCHEMBL5967967 0.72 OPRD1 (0.53) SPHK2SPHK1OPRD1FAAH
SCHEMBL27492 0.72 — —
SCHEMBL1191327 0.71 SIGMAR1 (0.52) —
SCHEMBL1780335 0.70 ALDH1A1 (0.43) DRD2DRD4DRD3SPHK2SPHK1
SCHEMBL24447814 0.70 MAPK1 (0.59) OPRD1NPC1RAB9A
SCHEMBL1051602 0.70 SPHK1 (0.64) SPHK2SPHK1OPRD1
SCHEMBL11990423 0.70 MAPK1 (0.59) OPRD1NPC1RAB9A

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 DRD2 115/4885DRD4 337/4885DRD3 204/4885
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist HCRTR2, HCRTR1, OXTR DRD2 157/4885DRD4 386/4885DRD3 247/4885

“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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