SCHEMBL1970795

SCHEMBL1970795

Nc1nc(CCNCC2CC2)cs1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 1/20 0.44
▸ GABRA5 P31644 1/20 0.42
▸ GABRB2 P47870 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ AOC3 Q16853 1/20 0.40
▸ RAB9A P51151 4/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ MAPT P10636 1/20 0.36
▸ ADRB3 P13945 1/20 0.35
▸ NPC1 O15118 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL3345184 0.75 TSHR (0.48) NOS1GABRA5GABRB2HSD17B10RAB9A
SCHEMBL5875718 0.75 GABRA5 (0.54) GABRA5GABRB2HSD17B10RAB9ASMN1; SMN2
SCHEMBL20000852 0.74 GABRA5 (0.47) NOS1GABRA5GABRB2HSD17B10RAB9A
SCHEMBL20047367 0.73 NOS1 (0.51) NOS1GABRA5GABRB2HSD17B10AOC3
SCHEMBL2211332 0.70 — —
SCHEMBL30191663 0.70 HSD17B10 (0.51) NOS1GABRA5GABRB2HSD17B10AOC3
SCHEMBL5240163 0.69 GABRA5 (0.50) GABRA5GABRB2HSD17B10RAB9ALMNA
SCHEMBL17709802 0.68 LMNA (0.47) NOS1GABRA5GABRB2HSD17B10RAB9A
SCHEMBL307817 0.68 — —
SCHEMBL15549396 0.67 LMNA (0.46) NOS1GABRA5GABRB2HSD17B10RAB9A

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
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 — — WO claimed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 — — US disclosed
CN-102164896-A Phenethylamide derivatives and their heterocyclic analogues ACTELION PHARMACEUTICALS LTD 2011-08-24 — — CN disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 — — EP disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 — — 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 NOS1 2794/4885GABRA5 184/4885GABRB2 138/4885

“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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