SCHEMBL1050341

SCHEMBL1050341

N[C@@H](c1ccc(Br)cc1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
CYP2A6 P11509 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
DPP4 P27487 2/20 0.37
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
ALOX5 P09917 1/20 0.33
CYP1A2 P05177 1/20 0.33
PDE2A O00408 1/20 0.32
MAOA P21397 1/20 0.32
SYK P43405 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL1048801 1.00 HTR2A (0.39) HTR2ACYP2A6CA1CA2CA5A
SCHEMBL4509253 1.00 HTR2A (0.39) HTR2ACYP2A6CA1CA2CA5A
Hydrochloric Acid SCHEMBL4513936 0.98 HTR2A (0.38) HTR2ACYP2A6CA1CA2CA5A
Hydrochloric Acid SCHEMBL1864740 0.98 HTR2A (0.38) HTR2ACYP2A6CA1CA2CA5A
Hydrochloric Acid SCHEMBL16653694 0.98 HTR2A (0.38) HTR2ACYP2A6CA1CA2CA5A
SCHEMBL20639987 0.84 IGF1R (0.47) ALDH1A1MAPK1
SCHEMBL4490669 0.82 CES1 (0.43) CA1CA2DPP4DPP7
SCHEMBL296872 0.78 IDO1 (0.44) CA1CA2CA9ESR1ESR2
SCHEMBL14305986 0.78 IDO1 (0.44) CA1CA2CA9ESR1ESR2
Hydrochloric Acid SCHEMBL25187772 0.76 IDO1 (0.46) HTR2AESR1ESR2PDE2AMAOA

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 95 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12247233-B2 Transaminase reactions CODEXIS, INC. (US) 2025-03-11 US claimed
US-20220290197-A1 TRANSAMINASE REACTIONS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2022-09-15 US claimed
US-11371067-B2 Transaminase reactions CODEXIS, INC. (US) 2022-06-28 US claimed
US-20200362377-A1 TRANSAMINASE REACTIONS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2020-11-19 US claimed
EP-2446026-B1 TRANSAMINASE REACTIONS CODEXIS INC (US) 2017-08-09 EP claimed
US-9434968-B2 Transaminase reactions CODEXIS, INC. (US) 2016-09-06 US claimed
CN-102597226-B Transamination reaction CODEXIS, INC. (US) 2015-08-19 CN claimed
US-20150079640-A1 TRANSAMINASE REACTIONS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2015-03-19 US claimed
US-8921079-B2 Transaminase reactions CODEXIS, INC. (US) 2014-12-30 US claimed
US-20120190085-A1 Transaminase Reactions CODEXIS, INC. (US) 2012-07-26 US claimed
WO-2025059027-A1 CYCLOPENTA[E]PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AS MALT1 INHIBITORS SCHRÖDINGER, INC. (US) 2025-03-20 WO disclosed
US-12247233-B2 Transaminase reactions CODEXIS, INC. (US) 2025-03-11 US disclosed
EP-4228647-A1 MALT1 MODULATORS AND USES THEREOF Rheos Medicines, Inc. (US) 2023-08-23 EP disclosed
US-20220290197-A1 TRANSAMINASE REACTIONS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2022-09-15 US disclosed
US-11371067-B2 Transaminase reactions CODEXIS, INC. (US) 2022-06-28 US disclosed
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-7154005-B2 Synthesis of alpha fluoroalkyl amines MERCK FROSST CANADA, LTD. (CA) 2006-12-26 US disclosed
WO-2006133559-A1 REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B MERCK FROSST CANADA LTD. (CA) 2006-12-21 WO disclosed
US-20060052642-A1 Synthesis of alpha fluoroalkyl amines MERCK CANADA INC. (CA) 2006-03-09 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-20060052642-A1 Synthesis of alpha fluoroalkyl amines ADH5, ADH1C, INMT HTR2A 712/4885CYP2A6 1218/4885CA1 4148/4885
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors MMP13, MMP9, ADAMTS13 HTR2A 3202/4885CYP2A6 468/4885CA1 941/4885

“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.