SCHEMBL2636673

SCHEMBL2636673

FC(F)(F)c1ccnc(C2CCNC2)n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.46
HTR2C P28335 7/20 0.44
HTR2A P28223 4/20 0.44
HTR2B P41595 4/20 0.44
MAP3K12 Q12852 2/20 0.40
MAPK1 P28482 1/20 0.40
RBP4 P02753 1/20 0.38
PIK3CA P42336 1/20 0.38

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
SCHEMBL17710264 0.82 RBP4 (0.43) ADRB1HTR2CHTR2AHTR2BRBP4
SCHEMBL28234526 0.79 RBP4 (0.42) ADRB1HTR2CHTR2AHTR2BMAP3K12
SCHEMBL3551836 0.78 ADRB1 (0.44) ADRB1HTR2CHTR2AHTR2BPIK3CA
SCHEMBL2636155 0.76 HTR2C (0.39) HTR2CHTR2AHTR2B
SCHEMBL28063327 0.76 HRH3 (0.42)
SCHEMBL14683803 0.74 HTR2C (0.42) HTR2C
SCHEMBL28279222 0.73 HTR3A (0.36)
Hydrochloric Acid SCHEMBL21003198 0.73 HTR2C (0.43) HTR2C
Hydrochloric Acid SCHEMBL31598345 0.73 HTR2C (0.43) HTR2C
SCHEMBL2636703 0.73 IDO1 (0.39) HTR2CHTR2A

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-11420961-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2022-08-23 US disclosed
US-20200392125-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-12-17 US disclosed
US-9163012-B2 Carbamate and urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2015-10-20 US disclosed
EP-2438043-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2012-04-11 EP disclosed
US-20110053943-A1 CARBAMATE AND UREA INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2011-03-03 US disclosed
WO-2010141424-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2010-12-09 WO 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 (3 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-11420961-B2 Heterocyclic compounds LPXN, MLX, CCNY ADRB1 1795/4885HTR2C 945/4885HTR2A 1344/4885
US-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY ADRB1 1795/4885HTR2C 945/4885HTR2A 1344/4885
US-20110053943-A1 CARBAMATE AND UREA INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 ADRB1 1204/4885HTR2C 4035/4885HTR2A 4456/4885

“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.