SCHEMBL16742786

SCHEMBL16742786

FC1(F)CCN(c2cc[c]c(Cl)n2)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 1/20 0.36
▸ CNR2 P34972 9/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ HDAC4 P56524 1/20 0.34
▸ GBA1 P04062 1/20 0.34
▸ RXRA P19793 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ MAP3K12 Q12852 2/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL16742824 0.91 CNR2 (0.41) CNR2PDE10AHRH3
SCHEMBL16741079 0.87 PDE10A (0.31) PDE10A
SCHEMBL17610639 0.72 CACNA1H (0.36) PDE10AMAP3K12DPP4HRH3
SCHEMBL10519207 0.71 CYP1A2 (0.45) CNR2
SCHEMBL16741177 0.71 HTR3A (0.56) HRH3
SCHEMBL16742736 0.70 MAP3K12 (0.34) MAP3K12
SCHEMBL25225709 0.69 KIF18A (0.40) NSD2CNR2PDE10AHDAC4GBA1
SCHEMBL12813743 0.69 KDM4E (0.53) NSD2CNR2CYP11B1CYP11B2DPP4
SCHEMBL22163200 0.69 GRIN2D (0.48) CNR2PDE10AHDAC4GBA1GRIN1
SCHEMBL2068322 0.68 PDE10A (0.31) PDE10A

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
EP-3071578-B1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2018-01-10 — — EP disclosed
US-9765092-B2 Tricyclic piperidine compounds ACTELION PHARMACEUTICALS LTD (CH) 2017-09-19 — — US disclosed
EP-3071578-A1 TRICYCLIC PIPERIDINE COMPOUNDS Actelion Pharmaceuticals Ltd (CH) 2016-09-28 — — EP disclosed
US-20160272655-A1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2016-09-22 — — US disclosed
WO-2015075023-A1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2015-05-28 — — 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-20160272655-A1 TRICYCLIC PIPERIDINE COMPOUNDS TPH1, HTR1B, HTR1A NSD2 2092/4885CNR2 78/4885PDE10A 1018/4885

“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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