SCHEMBL14800103

SCHEMBL14800103

CC(CCc1ccccc1)(NC(=O)O)C1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SSTR4 P31391 1/20 0.48
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ SCN1A P35498 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SCN2A Q99250 1/20 0.41
▸ SCN3A Q9NY46 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ GBA1 P04062 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.39
▸ DCUN1D1 Q96GG9 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ EPHX2 P34913 3/20 0.37
▸ ITGB3 P05106 1/20 0.37

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
SCHEMBL5649395 0.74 GBA1 (0.46) SSTR4MEN1LMNACYP2D6HRH1
SCHEMBL6747009 0.73 SIGMAR1 (0.46) SSTR4LMNANPC1RAB9ATAAR1
SCHEMBL8222003 0.71 ITGB3 (0.54) MEN1LMNAKMT2ANPC1RAB9A
SCHEMBL4392768 0.71 HRH1 (0.56) SSTR4MEN1LMNACYP2D6HRH1
SCHEMBL22373000 0.70 ADRB2 (0.43) MEN1KMT2ANPC1RAB9AEPHX2
SCHEMBL5509920 0.70 TDP1 (0.43) SSTR4MEN1LMNACYP2D6HRH1
SCHEMBL22373191 0.70 ITGB3 (0.40) SSTR4MEN1LMNACYP2D6HRH1
SCHEMBL6027572 0.70 SSTR4 (0.47) SSTR4HRH1GBA1
SCHEMBL14800102 0.69 MEN1 (0.48) MEN1LMNACYP2D6HRH1SCN1A
SCHEMBL22374186 0.69 MAPT (0.42) MAPTITGB3ITGA2BEPHX1

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-8623857-B2 N-phenyl imidazole carboxamide inhibitors of 3-phosphoinositide-dependent protein kinase-1 MERCK SHARP & DOHME CORP. (US) 2014-01-07 — — US disclosed
US-20130079326-A1 N-PHENYL IMIDAZOLE CARBOXAMIDE INHIBITORS OF 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 MERCK SHARP & DOHME CORP. 2013-03-28 — — 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-20130079326-A1 N-PHENYL IMIDAZOLE CARBOXAMIDE INHIBITORS OF 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 PDPK1, PDK1, PDK3 SSTR4 3321/4885MEN1 2302/4885LMNA 4238/4885

“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