SCHEMBL18087755

SCHEMBL18087755

Cc1ccccc1/C=C/CNCc1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MC5R P33032 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MC1R Q01726 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ CA2 P00918 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ SMPD1 P17405 1/20 0.39
▸ CHAT P28329 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
N-Dealkyl Naftifine SCHEMBL30960255 0.80 MEN1 (0.54) MC5RMAPK1MEN1KMT2AMC1R
N-Dealkyl Naftifine SCHEMBL14628549 0.80 MEN1 (0.54) MC5RMAPK1MEN1KMT2AMC1R
N-Dealkyl Naftifine SCHEMBL30960259 0.80 MEN1 (0.54) MC5RMAPK1MEN1KMT2AMC1R
SCHEMBL20921281 0.79 MC5R (0.50) MC5RMAPK1MEN1KMT2AMC1R
SCHEMBL11236863 0.77 MC5R (0.41) MC5RMAPK1MEN1KMT2AMC1R
SCHEMBL7523920 0.77 MC5R (0.51) MC5RMAPK1MEN1KMT2AMC1R
SCHEMBL9305839 0.77 MC5R (0.58) MC5RMAPK1MEN1KMT2AMC1R
SCHEMBL11302562 0.75 HPGD (0.49) MC5RMAPK1MEN1KMT2AMC1R
SCHEMBL11302558 0.75 HPGD (0.49) MC5RMAPK1MEN1KMT2AMC1R
SCHEMBL18064675 0.74 CYP2D6 (0.69) MEN1KMT2ACYP2C19L3MBTL1

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-20160272572-A1 ADENYLYL CYCLASE INHIBITORS FOR NEUROPATHIC AND INFLAMMATORY PAIN PURDUE RESEARCH FOUNDATION 2016-09-22 — — 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-20160272572-A1 ADENYLYL CYCLASE INHIBITORS FOR NEUROPATHIC AND INFLAMMATORY PAIN ADCY1, ADCY2, ADCY5 MC5R 537/4885MAPK1 1571/4885MEN1 3970/4885

“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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