Sugi Predict

Sugi Predict / Compounds / SCHEMBL4570164

SCHEMBL4570164

SCHEMBL4570164

CCCOC(=O)Nc1ccc(N2CCC[C@]3(CCN([C@H]4CC[C@H](O)CC4)C3=O)C2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.43
▸ HPGD P15428 5/20 0.43
▸ TP53 P04637 2/20 0.43
▸ NPC1 O15118 5/20 0.38
▸ RAB9A P51151 5/20 0.38
▸ MAPT P10636 4/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ PDE7A Q13946 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CASP3 P42574 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
SCHEMBL17082008 1.00 SMN1; SMN2 (0.43) SMN1; SMN2HPGDTP53NPC1RAB9A
SCHEMBL17082116 0.94 ALDH1A1 (0.39) SMN1; SMN2HPGDNPC1RAB9AMAPT
SCHEMBL4570159 0.94 ALDH1A1 (0.39) SMN1; SMN2HPGDNPC1RAB9AMAPT
SCHEMBL4570215 0.92 SMN1; SMN2 (0.43) SMN1; SMN2HPGDTP53NPC1RAB9A
SCHEMBL17082193 0.92 SMN1; SMN2 (0.43) SMN1; SMN2HPGDTP53NPC1RAB9A
SCHEMBL4570133 0.91 SMN1; SMN2 (0.42) SMN1; SMN2HPGDTP53NPC1RAB9A
SCHEMBL17082120 0.91 SMN1; SMN2 (0.42) SMN1; SMN2HPGDTP53NPC1RAB9A
SCHEMBL4570162 0.90 PDE7A (0.38) SMN1; SMN2HPGDTP53MAPTALDH1A1
SCHEMBL17082096 0.90 PDE7A (0.38) SMN1; SMN2HPGDTP53MAPTALDH1A1
SCHEMBL17082078 0.90 HPGD (0.41) SMN1; SMN2HPGDTP53NPC1RAB9A

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 SMN1; SMN2 3517/4885HPGD 45/4885TP53 4797/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 SMN1; SMN2 3517/4885HPGD 45/4885TP53 4797/4885

“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.