SCHEMBL16742824

SCHEMBL16742824

FC1(F)CCN(c2cc[c]c(Cl)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.41
▸ TRPV3 Q8NET8 1/20 0.36
▸ PTGER4 P35408 1/20 0.34
▸ HTR3E A5X5Y0 3/20 0.33
▸ HTR3B O95264 3/20 0.33
▸ HTR3A P46098 3/20 0.33
▸ HTR3D Q70Z44 3/20 0.33
▸ HTR3C Q8WXA8 3/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PIK3CA P42336 1/20 0.32
▸ ACACB O00763 1/20 0.32
▸ MAOB P27338 3/20 0.32
▸ ALDH1A1 P00352 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
SCHEMBL16742786 0.91 NSD2 (0.36) CNR2PDE10AHRH3
SCHEMBL16741079 0.83 PDE10A (0.31) PDE10A
SCHEMBL16741177 0.77 HTR3A (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10519207 0.77 CYP1A2 (0.45) CNR2MEN1CYP1A2CYP2D6KMT2A
SCHEMBL4772450 0.70 CNR2 (0.37) CNR2TRPV3PTGER4PDE10AMEN1
SCHEMBL16742736 0.69 MAP3K12 (0.34) —
SCHEMBL17619976 0.67 GRIN2D (0.50) CNR2TRPV3PTGER4HTR3EHTR3B
SCHEMBL30788618 0.67 GRIN2D (0.50) CNR2TRPV3PTGER4HTR3EHTR3B
SCHEMBL30643023 0.67 KDM4E (0.60) CNR2MEN1CYP1A2KMT2AALDH1A1
SCHEMBL29898375 0.67 HTR3E (0.62) CNR2TRPV3PTGER4HTR3EHTR3B

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 CNR2 78/4885TRPV3 742/4885PTGER4 175/4885

“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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