SCHEMBL19865071

SCHEMBL19865071

C[C@@H]1CCN(C)c2ccc(Cl)nc2N1C(=O)Nc1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 16/20 0.47
▸ HTR2A P28223 15/20 0.47
▸ NPC1 O15118 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ THPO P40225 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ PMP22 Q01453 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL19670244 0.88 HTR2A (0.45) HTR2CHTR2A
SCHEMBL19670146 0.85 TSHR (0.45) HTR2CHTR2ANPC1TP53CYP1A2
SCHEMBL19365662 0.85 HTR1F (0.36) HTR2CHTR2ATSHRMAPT
SCHEMBL19365313 0.84 KMT2A (0.37) NPC1RAB9AHIF1AMAPTSMN1; SMN2
SCHEMBL19365620 0.81 HTR2C (0.43) HTR2CHTR2ANPC1TP53CYP1A2
SCHEMBL19365370 0.81 PTGS1 (0.41) NPC1TSHRRAB9A
SCHEMBL19365525 0.81 HTR2C (0.54) HTR2CHTR2A
SCHEMBL19706148 0.81 NPC1 (0.39) HTR2CHTR2ANPC1TP53CYP1A2
SCHEMBL19365744 0.79 ABL1 (0.43) HTR2CHTR2ANPC1TP53CYP1A2
SCHEMBL19365254 0.79 HTR2C (0.47) HTR2CHTR2ANPC1TP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 — — 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 (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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HTR2C 4649/4885HTR2A 4359/4885NPC1 3776/4885

“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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