SCHEMBL9670903

SCHEMBL9670903

COc1ccc(CCNC(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
HTT P42858 1/20 0.53
MAPT P10636 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA5A P35218 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
TAAR1 Q96RJ0 1/20 0.52
LMNA P02545 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GLA P06280 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 1/20 0.49
F2RL1 P55085 1/20 0.49
CALM1 P0DP23 1/20 0.47

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
SCHEMBL14176505 0.85 NPC1 (0.44) SMN1; SMN2HTTMAPTTAAR1LMNA
SCHEMBL22548723 0.83 ALDH1A1 (0.41) SMN1; SMN2HTTMAPTCA12CA1
SCHEMBL9595371 0.82 SMN1; SMN2 (0.53) SMN1; SMN2HTTMAPTCA12CA1
SCHEMBL10245176 0.80 ALDH1A1 (0.53) HTTMAPTALDH1A1KDM4EKMT2A
SCHEMBL2733123 0.79 CHRM2 (0.68) TAAR1
SCHEMBL5527612 0.79 CASR (0.59) TAAR1ALDH1A1KMT2AGAA
SCHEMBL5652930 0.78 SMN1; SMN2 (0.59) SMN1; SMN2HTTMAPTCA12CA1
SCHEMBL17917284 0.78 NPC1 (0.40) SMN1; SMN2HTTMAPTCA1CA2
SCHEMBL13532752 0.78 NPC1 (0.56) SMN1; SMN2MAPTCA12CA1CA2
SCHEMBL681498 0.78 CHRM2 (0.61) SMN1; SMN2HTTMAPTCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914740-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-13 US disclosed
US-9914740-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-13 US disclosed
US-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
EP-0509005-A1 DIPHENYLSULPHOXIMINE MUSCARINIC RECEPTOR ANTAGONISTS Pfizer Limited (GB) 1992-10-21 EP 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-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 SMN1; SMN2 834/4885HTT 4140/4885MAPT 184/4885

“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.