Sugi Predict

Sugi Predict / Compounds / SCHEMBL1974336

SCHEMBL1974336

SCHEMBL1974336

CCCn1c(C)c(C(=O)N[C@H](c2cccc(F)c2)C2CCC2)c(Cl)cc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.45
▸ TACR3 P29371 10/20 0.42
▸ OPRL1 P41146 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ PPARG P37231 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ SMYD3 Q9H7B4 1/20 0.35
▸ HTR3E A5X5Y0 1/20 0.35
▸ HTR3B O95264 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ HTR3D Q70Z44 1/20 0.35
▸ HTR3C Q8WXA8 1/20 0.35

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
SCHEMBL1975909 0.91 CYP2C9 (0.46) CYP2C9TACR3OPRL1MEN1KMT2A
SCHEMBL10150597 0.89 CYP2C9 (0.44) CYP2C9TACR3OPRL1MEN1KMT2A
SCHEMBL1975021 0.85 CYP2C9 (0.43) CYP2C9TACR3OPRL1MEN1KMT2A
SCHEMBL1974913 0.83 CYP2C9 (0.46) CYP2C9TACR3OPRL1MEN1KMT2A
SCHEMBL1974496 0.82 CYP2C9 (0.43) CYP2C9TACR3OPRL1MEN1KMT2A
SCHEMBL1978893 0.82 CYP2C9 (0.45) CYP2C9TACR3OPRL1MEN1KMT2A
SCHEMBL11917800 0.82 CYP2C9 (0.47) CYP2C9TACR3OPRL1MEN1KMT2A
SCHEMBL11917801 0.82 CYP2C9 (0.49) CYP2C9TACR3MEN1KMT2APPARG
SCHEMBL7942594 0.80 CYP2C9 (0.47) CYP2C9TACR3PPARG
SCHEMBL1972416 0.80 CYP2C9 (0.49) CYP2C9TACR3PPARGSMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144164-A1 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2011-06-16 — — US claimed
US-8207347-B2 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-06-26 — — US disclosed
US-8207347-B2 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-06-26 — — US disclosed
WO-2011072691-A1 PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-06-23 — — WO disclosed
US-20110144164-A1 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2011-06-16 — — US disclosed
US-20110144164-A1 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2011-06-16 — — US disclosed
US-20110144164-A1 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2011-06-16 — — 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-20110144164-A1 Pyridone derivatives as NK3 antagonists KCNK3, GRIK3, KCND3 CYP2C9 2501/4885TACR3 26/4885OPRL1 821/4885

“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.