SCHEMBL6270011

SCHEMBL6270011

O=C1CN(C2CCNCC2)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 11/20 0.55
▸ HTR2A P28223 9/20 0.55
▸ HTR2B P41595 8/20 0.55
▸ PARP1 P09874 2/20 0.46
▸ NOTUM Q6P988 1/20 0.42
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP3A5 P20815 2/20 0.39
▸ CYP3A7 P24462 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ PDK4 Q16654 2/20 0.39
▸ CYP3A43 Q9HB55 2/20 0.39
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ OGFRL1 Q5TC84 1/20 0.38
▸ HTR1A P08908 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ HTR5A P47898 1/20 0.36
▸ HTR6 P50406 1/20 0.36

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
SCHEMBL16801723 0.75 OPRM1 (0.65) HTR2CHTR2AHTR2BOPRM1OPRD1
SCHEMBL1976916 0.74 PARP1 (0.56) HTR2CHTR2AHTR2BPARP1
SCHEMBL9280480 0.71 HTR2C (0.56) HTR2CHTR2AHTR2BPARP1CYP1A2
SCHEMBL15848120 0.71 DRD2 (0.58) HTR2CHTR2AHTR2BCYP1A2CYP3A4
SCHEMBL28538509 0.71 HTR2C (0.40) HTR2CHTR2AHTR2BPARP1OPRM1
SCHEMBL13965433 0.71 HTR2C (1.00) HTR2CHTR2AHTR2BPARP1
SCHEMBL13965425 0.71 HTR2C (1.00) HTR2CHTR2AHTR2BPARP1
SCHEMBL13966033 0.71 HTR2C (1.00) HTR2CHTR2AHTR2BPARP1
SCHEMBL31352052 0.70 CYP1A2 (0.49) HTR2CHTR2AHTR2BCYP1A2CYP3A4
SCHEMBL3440231 0.70 CYP1A2 (0.49) HTR2CHTR2AHTR2BCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050228023-A1 Agonist and antagonist ligands of the nociceptin receptor SRI INTERNATIONAL (US) 2005-10-13 — — US disclosed
WO-2005060947-A2 AGONIST AND ANTAGONIST LIGANDS OF THE NOCICEPTIN RECEPTOR SRI INTERNATIONAL (US) 2005-07-07 — — 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-20050228023-A1 Agonist and antagonist ligands of the nociceptin receptor OPRL1, OPRK1, OPRM1 HTR2C 33/4885HTR2A 15/4885HTR2B 57/4885

“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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