SCHEMBL24011639

SCHEMBL24011639

COc1ccc(CNC(=O)NC2CCC(CN3Cc4ccccc4C3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.61
▸ NPC1 O15118 2/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ MCHR1 Q99705 5/20 0.55
▸ HRH3 Q9Y5N1 1/20 0.55
▸ DRD2 P14416 2/20 0.49
▸ DRD4 P21917 1/20 0.47
▸ HPGD P15428 2/20 0.46
▸ EPHX1 P07099 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ THRB P10828 1/20 0.44

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
SCHEMBL26633800 0.88 NPC1 (0.54) RAB9ANPC1SMN1; SMN2MCHR1HRH3
SCHEMBL30306655 0.88 NPC1 (0.54) RAB9ANPC1SMN1; SMN2MCHR1HRH3
SCHEMBL24011431 0.83 RAB9A (0.61) RAB9ANPC1SMN1; SMN2MCHR1HRH3
SCHEMBL24011268 0.83 RAB9A (0.56) RAB9ANPC1SMN1; SMN2MCHR1HRH3
SCHEMBL24011088 0.81 SMN1; SMN2 (0.74) RAB9ANPC1SMN1; SMN2MCHR1HRH3
SCHEMBL24011294 0.81 SMN1; SMN2 (0.58) RAB9ANPC1SMN1; SMN2MCHR1HRH3
SCHEMBL24448792 0.79 SMN1; SMN2 (0.71) RAB9ANPC1SMN1; SMN2MCHR1HRH3
SCHEMBL4980231 0.79 RAB9A (0.74) RAB9ANPC1SMN1; SMN2MCHR1HRH3
SCHEMBL28874179 0.78 SMN1; SMN2 (0.78) RAB9ANPC1SMN1; SMN2MCHR1HRH3
SCHEMBL24011182 0.78 NPC1 (0.70) RAB9ANPC1SMN1; SMN2MCHR1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 — — US disclosed
WO-2021226276-A2 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-11-11 — — 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-20230348369-A1 NAMPT MODULATORS NAMPT, NNT, NAPRT RAB9A 814/4885NPC1 128/4885SMN1; SMN2 610/4885

“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.

Send feedback