Sugi Predict

Sugi Predict / Compounds / SCHEMBL7812930

SCHEMBL7812930

SCHEMBL7812930

Cc1cc([C@@H](O)[C@@H](N)c2ccc(Cl)c(Cl)c2)ccc1-c1cncc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.41
▸ AKR1C2 P52895 2/20 0.41
▸ CYP3A4 P08684 7/20 0.38
▸ CYP11B2 P19099 4/20 0.38
▸ CYP17A1 P05093 2/20 0.38
▸ CYP11B1 P15538 2/20 0.38
▸ SLC1A3 P43003 1/20 0.37
▸ SLC1A2 P43004 1/20 0.37
▸ SLC1A1 P43005 1/20 0.37
▸ EIF2AK3 Q9NZJ5 3/20 0.35
▸ EIF2S1 P05198 1/20 0.35
▸ CYP2D6 P10635 6/20 0.33
▸ SLC6A2 P23975 6/20 0.33
▸ SLC6A4 P31645 6/20 0.33
▸ SLC6A3 Q01959 6/20 0.33
▸ PARP10 Q53GL7 1/20 0.33
▸ PARP11 Q9NR21 1/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33

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
SCHEMBL7803598 0.86 AKR1C3 (0.44) AKR1C3AKR1C2CYP3A4CYP11B2CYP17A1
SCHEMBL7809683 0.83 CYP3A4 (0.36) CYP3A4CYP11B2CYP17A1CYP11B1CYP2D6
SCHEMBL2833788 0.83 CYP3A4 (0.36) CYP3A4CYP11B2CYP17A1CYP11B1CYP2D6
SCHEMBL7803596 0.81 CYP11B2 (0.36) AKR1C3AKR1C2CYP3A4CYP11B2CYP11B1
SCHEMBL7811160 0.81 CYP11B2 (0.38) CYP3A4CYP11B2CYP17A1CYP11B1
SCHEMBL2837389 0.81 CYP11B2 (0.38) CYP3A4CYP11B2CYP17A1CYP11B1
SCHEMBL2834200 0.77 EIF2S1 (0.38) AKR1C3AKR1C2CYP3A4CYP11B2CYP17A1
SCHEMBL7812908 0.76 GRIN1 (0.37) CYP3A4CYP11B2CYP11B1CYP2D6SLC6A2
SCHEMBL2833720 0.75 CYP11B2 (0.37) CYP3A4CYP11B2CYP17A1CYP11B1
SCHEMBL7811151 0.75 CYP11B2 (0.37) CYP3A4CYP11B2CYP17A1CYP11B1

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
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
WO-2010094659-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 — — WO 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 AKR1C3 1313/4885AKR1C2 924/4885CYP3A4 1043/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 AKR1C3 1313/4885AKR1C2 924/4885CYP3A4 1043/4885

“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.