SCHEMBL5652865

SCHEMBL5652865

Cc1ccc(N2CCC[N+](C(=O)[O-])(C(C)(C)C)CC2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
PANK3 Q9H999 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
AOC3 Q16853 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HTT P42858 1/20 0.39
CNR2 P34972 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38

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
SCHEMBL15205473 0.88 AKR1C3 (0.44) CYP1A2CYP2C19MEN1CYP2C9KMT2A
SCHEMBL11988476 0.73 GRIN2D (0.56) MEN1KMT2APANK3GPR119KDM4E
SCHEMBL806544 0.73 CNR2 (0.59) PANK3GPR119LMNACNR2GRIN2D
SCHEMBL31415358 0.73 CNR2 (0.59) PANK3GPR119LMNACNR2GRIN2D
SCHEMBL1479273 0.73 HPGD (0.41) MEN1KMT2AAOC3HRH3HTT
SCHEMBL82447 0.72 CNR2 (0.62) GPR119LMNACNR2GRIN2DGRIN3B
SCHEMBL1108644 0.72 CNR2 (0.62) GPR119LMNACNR2GRIN2DGRIN3B
SCHEMBL21424864 0.70 GRIN2D (0.59) CYP1A2CYP2C19MEN1CYP2C9KMT2A
SCHEMBL23600942 0.70 CKS1B (0.54) CYP1A2CYP2C19MEN1CYP2C9KMT2A
SCHEMBL27723056 0.68 PANK3 (0.59) CYP1A2CYP2C19MEN1CYP2C9KMT2A

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-20070219234-A1 Thienopyridine Derivatives SANKYO COMPANY, LIMITED (JP) 2007-09-20 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-20070219234-A1 Thienopyridine Derivatives RASGRP1, NRAS, HRH3 CYP1A2 2791/4885CYP2C19 3450/4885MEN1 975/4885

“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.