SCHEMBL19699089

SCHEMBL19699089

CNC(=O)CN1CCC(c2cccc(NC(=O)N3c4nc(-c5cccc(C(F)(F)F)c5)ccc4N4CC[C@H]3C4)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 4/20 0.43
▸ DRD4 P21917 2/20 0.40
▸ MAPT P10636 5/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ KDR P35968 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.37
▸ UBE2M P61081 1/20 0.36
▸ DCUN1D1 Q96GG9 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ SCN9A Q15858 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
SCHEMBL16237546 0.92 MCHR1 (0.43) MCHR1DRD4MAPTSMN1; SMN2LMNA
SCHEMBL16249965 0.88 MCHR1 (0.42) MCHR1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL16238434 0.87 EPHX2 (0.43) MCHR1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL16237959 0.85 MEN1 (0.41) MCHR1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL17618783 0.85 MEN1 (0.47) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL16250008 0.85 MAPT (0.45) MCHR1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL16754707 0.85 MAPT (0.45) MCHR1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL16238014 0.84 MEN1 (0.38) MCHR1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL19689772 0.84 CNR2 (0.43) MEN1KMT2AALDH1A1
SCHEMBL17618348 0.83 IDH2 (0.45) MAPTSMN1; SMN2LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MCHR1 4256/4885DRD4 4797/4885MAPT 267/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 MCHR1 4256/4885DRD4 4797/4885MAPT 267/4885

“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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