Sugi Predict

Sugi Predict / Compounds / SCHEMBL4122793

SCHEMBL4122793

SCHEMBL4122793

O=c1ccc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)cc2)cn1CC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.39
▸ CYP2C9 P11712 3/20 0.36
▸ CYP2C19 P33261 3/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ METAP2 P50579 1/20 0.35
▸ BMPR1B O00238 1/20 0.35
▸ ACVRL1 P37023 1/20 0.35
▸ ACVR1 Q04771 1/20 0.35
▸ L3MBTL3 Q96JM7 4/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ TP53BP1 Q12888 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ USP2 O75604 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ MAPK1 P28482 2/20 0.34

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
SCHEMBL4136216 0.88 HRH3 (0.44) HRH3FFAR4CYP2C9CYP2C19CYP3A4
SCHEMBL4288657 0.84 HRH3 (0.45) HRH3FFAR4CYP2C9CYP2C19CYP3A4
SCHEMBL4935016 0.80 TLR4 (0.49) HRH3FFAR4CYP2C9CYP2C19CYP3A4
SCHEMBL4286110 0.78 HRH3 (0.47) HRH3FFAR4CYP2C9CYP2C19CYP3A4
SCHEMBL4141352 0.74 FFAR4 (0.48) HRH3FFAR4CYP2C9CYP2C19CYP3A4
SCHEMBL4931504 0.72 CYP3A4 (0.50) HRH3FFAR4CYP2C9CYP2C19CYP3A4
SCHEMBL4141357 0.72 HRH3 (0.45) HRH3FFAR4CYP2C9CYP2C19CYP3A4
SCHEMBL4141350 0.71 KMT2A (0.58) HRH3FFAR4CYP2C9CYP2C19CYP3A4
SCHEMBL4136957 0.70 HRH3 (0.47) HRH3FFAR4CYP2C9CYP2C19CYP3A4
SCHEMBL4287899 0.70 HRH3 (0.43) HRH3FFAR4CYP2C9CYP2C19CYP3A4

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
EP-2021004-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2009-02-11 — — EP claimed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 — — US claimed
WO-2007133561-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2007-11-22 — — WO claimed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 — — US disclosed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 — — US disclosed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 — — US disclosed
WO-2007133561-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2007-11-22 — — WO 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-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES HRH3, HRH4, HRH1 HRH3 1/4885FFAR4 514/4885CYP2C9 1705/4885

“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.