Sugi Predict

Sugi Predict / Compounds / SCHEMBL4570095

SCHEMBL4570095

SCHEMBL4570095

CCOC(=O)Nc1ccc(N2CCC[C@]3(CCN(C4CCCCC4)C3=O)C2)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.40
▸ S1PR1 P21453 1/20 0.39
▸ PDE7A Q13946 1/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ EPHX2 P34913 1/20 0.37
▸ HSD11B1 P28845 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ THRB P10828 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
SCHEMBL17081995 1.00 ALDH1A1 (0.43) ALDH1A1TAAR1S1PR1PDE7ARAB9A
SCHEMBL4570136 0.94 TAAR1 (0.39) ALDH1A1TAAR1S1PR1RAB9AMAPT
SCHEMBL17082166 0.94 TAAR1 (0.39) ALDH1A1TAAR1S1PR1RAB9AMAPT
SCHEMBL4570094 0.92 S1PR1 (0.43) ALDH1A1TAAR1S1PR1MAPTHSD11B1
SCHEMBL17082083 0.92 S1PR1 (0.43) ALDH1A1TAAR1S1PR1MAPTHSD11B1
SCHEMBL17082129 0.90 HSD11B1 (0.37) TAAR1S1PR1HSD11B1CYP2C9
SCHEMBL4570096 0.90 HSD11B1 (0.37) TAAR1S1PR1HSD11B1CYP2C9
SCHEMBL3701831 0.89 S1PR1 (0.39) S1PR1HSD11B1CYP2C9
SCHEMBL2700830 0.89 S1PR1 (0.39) S1PR1HSD11B1CYP2C9
SCHEMBL2699415 0.88 KDM4E (0.43) ALDH1A1S1PR1MAPTHSD11B1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-05-17 — — US disclosed
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-05-17 — — US disclosed
US-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 — — US disclosed
US-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 — — US disclosed
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2009-11-26 — — US disclosed
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2009-11-26 — — 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 (2 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-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 ALDH1A1 177/4885TAAR1 3025/4885S1PR1 1221/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 ALDH1A1 177/4885TAAR1 3025/4885S1PR1 1221/4885

“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.