Sugi Predict

Sugi Predict / Compounds / SCHEMBL7803758

SCHEMBL7803758

SCHEMBL7803758

N[C@@H](c1ccc(Cl)c(Cl)c1)[C@H](O)c1ccc(OCC2CCCO2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.39
▸ NPC1 O15118 5/20 0.39
▸ CASP3 P42574 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MITF O75030 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.35
▸ EGLN2 Q96KS0 1/20 0.35
▸ ACACB O00763 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ MEN1 O00255 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
SCHEMBL2837636 0.80 RAB9A (0.39) RAB9ANPC1CASP3SENP7SMN1; SMN2
SCHEMBL7809141 0.77 PTGS1 (0.39) ACACB
SCHEMBL7808880 0.76 ACACB (0.42) HRH3ACACBBACE1
SCHEMBL7812533 0.75 FFAR1 (0.38) ACACBBACE1
SCHEMBL2836530 0.75 FFAR1 (0.36) RAB9ANPC1CASP3SENP7SMN1; SMN2
SCHEMBL22040910 0.75 HRH3 (0.43) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL22053065 0.75 HRH3 (0.43) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL22053066 0.75 HRH3 (0.43) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL7809091 0.74 KMT2A (0.39) SMN1; SMN2HTTMEN1KMT2A
SCHEMBL28595487 0.72 DRD4 (0.51) RAB9ANPC1CASP3SENP7SMN1; SMN2

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-8367838-B2 Amines or amino alcohols as GLYT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-02-05 — — US disclosed
US-8367838-B2 Amines or amino alcohols as GLYT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-02-05 — — US disclosed
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS KOLCZEWSKI SABINE (DE) 2012-09-13 — — US disclosed
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS KOLCZEWSKI SABINE (DE) 2012-09-13 — — US disclosed
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 — — US disclosed
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 — — 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-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 RAB9A 2034/4885NPC1 182/4885CASP3 4807/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 RAB9A 2034/4885NPC1 182/4885CASP3 4807/4885

“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.