Sugi Predict

Sugi Predict / Compounds / SCHEMBL13995255

SCHEMBL13995255

SCHEMBL13995255

CC(C)CCNC(C)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 3/20 0.78
▸ CYP3A4 P08684 2/20 0.78
▸ LMNA P02545 2/20 0.78
▸ HTR1A P08908 2/20 0.78
▸ ADORA3 P0DMS8 2/20 0.78
▸ SLC6A2 P23975 2/20 0.78
▸ SLC6A4 P31645 2/20 0.78
▸ ADRA1A P35348 2/20 0.78
▸ OPRM1 P35372 2/20 0.78
▸ DRD3 P35462 2/20 0.78
▸ SLC6A3 Q01959 2/20 0.78
▸ KCNH2 Q12809 2/20 0.78
▸ CHRM2 P08172 1/20 0.78
▸ ADRA2A P08913 1/20 0.78
▸ CHRM1 P11229 1/20 0.78
▸ SMPD1 P17405 1/20 0.78
▸ DRD1 P21728 1/20 0.78
▸ TBXA2R P21731 1/20 0.78
▸ HTR2B P41595 1/20 0.78
▸ CYP1A2 P05177 1/20 0.78

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
SCHEMBL15131222 1.00 CASR (0.78) CASRCYP3A4LMNAHTR1AADORA3
Fendiline SCHEMBL14415809 0.88 OPRM1 (1.00) CASRCYP3A4LMNAHTR1AADORA3
Fendiline SCHEMBL14415808 0.88 OPRM1 (1.00) CASRCYP3A4LMNAHTR1AADORA3
Fendiline SCHEMBL5053865 0.88 OPRM1 (1.00) CASRCYP3A4LMNAHTR1AADORA3
Fendiline SCHEMBL63814 0.88 OPRM1 (1.00) CASRCYP3A4LMNAHTR1AADORA3
SCHEMBL24406703 0.87 CYP3A4 (0.76) CASRCYP3A4LMNAHTR1AADORA3
SCHEMBL3881700 0.87 CYP3A4 (0.76) CASRCYP3A4LMNAHTR1AADORA3
SCHEMBL3881699 0.87 CYP3A4 (0.76) CASRCYP3A4LMNAHTR1AADORA3
SCHEMBL5471668 0.87 CYP3A4 (0.76) CASRCYP3A4LMNAHTR1AADORA3
SCHEMBL13509700 0.86 CYP3A4 (0.65) CASRCYP3A4LMNAHTR1AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112280251-A High-performance amine curing system epoxy asphalt material and preparation method thereof 南京阿斯孚特新材料科技有限公司 2021-01-29 — — CN disclosed
US-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 — — US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 — — US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 — — US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 — — 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-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR CASR 683/4885CYP3A4 1300/4885LMNA 3749/4885

“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.