SCHEMBL855357

SCHEMBL855357

COc1c(F)cc(CN)cc1F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
DBH P09172 1/20 0.44
TAAR1 Q96RJ0 4/20 0.41
LOXL2 Q9Y4K0 2/20 0.38
LOX P28300 1/20 0.38
CYP1A2 P05177 1/20 0.36
SPIN1 Q9Y657 1/20 0.36
PTGS2 P35354 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
ACACB O00763 1/20 0.33
TUBB1 Q9H4B7 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
SCHEMBL16411029 0.86 HTR2A (0.39) HTR2AHTR2CHTR2BDBHTAAR1
SCHEMBL10480330 0.81 HTR2A (0.50) HTR2AHTR2CHTR2BDBHTAAR1
SCHEMBL4547651 0.79 PTGS2 (0.58) HTR2AHTR2CHTR2BDBHPTGS2
SCHEMBL507505 0.78 HTR2A (0.46) HTR2AHTR2CHTR2BLOXL2LOX
SCHEMBL24088153 0.77 DBH (0.44) HTR2AHTR2CHTR2BDBHTAAR1
SCHEMBL3769931 0.77 DBH (0.44) HTR2AHTR2CHTR2BDBHPTGS2
SCHEMBL3764427 0.77 MAPT (0.50) HTR2AHTR2CHTR2BDBHPTGS2
SCHEMBL22516438 0.77 DBH (0.44) HTR2AHTR2CHTR2BDBHTAAR1
SCHEMBL28091715 0.77 DBH (0.44) HTR2AHTR2CHTR2BDBHTAAR1
SCHEMBL13548271 0.76 HTR2A (0.44) HTR2AHTR2CHTR2BDBHTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230128688-A1 DIRECTED CONJUGATION TECHNOLOGIES KLEO PHARMACEUTICALS, INC. 2023-04-27 US disclosed
US-20230128688-A1 DIRECTED CONJUGATION TECHNOLOGIES KLEO PHARMACEUTICALS, INC. 2023-04-27 US disclosed
WO-2021102052-A1 DIRECTED CONJUGATION TECHNOLOGIES KLEO PHARMACEUTICALS, INC. (US) 2021-05-27 WO disclosed
US-9605022-B2 Macrocyclic compounds for inhibition of inhibitors of apoptosis ENSEMBLE THERAPEUTICS CORPORATION (US) 2017-03-28 US disclosed
US-9605022-B2 Macrocyclic compounds for inhibition of inhibitors of apoptosis ENSEMBLE THERAPEUTICS CORPORATION (US) 2017-03-28 US disclosed
US-9605022-B2 Macrocyclic compounds for inhibition of inhibitors of apoptosis ENSEMBLE THERAPEUTICS CORPORATION (US) 2017-03-28 US disclosed
EP-2776409-B1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS ENSEMBLE THERAPEUTICS CORP (US) 2016-02-03 EP disclosed
US-20150284427-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-08 US disclosed
US-20150284427-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-08 US disclosed
US-20150284427-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-08 US disclosed
EP-2432760-A1 BRIDGED SPIRO [2.4]HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-28 EP disclosed
WO-2010134014-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-25 WO disclosed
EP-0190817-B1 DOPAMINE-BETA-HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1990-09-05 EP disclosed
US-4857540-A 1-SUBSTITUTED-2-MERCAPTO-(OR AMINOMETHYL-)BENZAMIDAZOLE COMPOUNDS SMITHKLINE BECKMAN CORPORATION (US) 1989-08-15 US disclosed
WO-1989006125-A1 4-ARALKYL-5-SUBSTITUTED-1,2,4-TRIAZOLE-5-THIOLS SMITHKLINE BECKMAN CORPORATION (US) 1989-07-13 WO disclosed
EP-0323737-A1 4-Aralkyl-5-substituted-1,2,4-triazole-5-thiols SMITHKLINE BEECHAM CORPORATION (US) 1989-07-12 EP disclosed
US-4728741-A DOPAMINE BETA-HYDROXYLASE INHIBITOR SMITHKLINE BECKMAN CORPORATION (US) 1988-03-01 US disclosed
EP-0225718-A2 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BECKMAN CORPORATION (US) 1987-06-16 EP disclosed
US-4628059-A TRIAZOLES SMITHKLEIN BECKMAN CORPORATION (US) 1986-12-09 US disclosed
EP-0190817-A1 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1986-08-13 EP 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-20230128688-A1 DIRECTED CONJUGATION TECHNOLOGIES CD2BP2, CD2, CD47 HTR2A 2736/4885HTR2C 2879/4885HTR2B 4162/4885
US-20150284427-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS BAX, API5, BCL2 HTR2A 4121/4885HTR2C 4459/4885HTR2B 4357/4885

“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.