SCHEMBL874357

SCHEMBL874357

O=[C]C(F)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
SRC P12931 1/20 0.39
DPP4 P27487 2/20 0.38
TSHR P16473 2/20 0.38
F2 P00734 1/20 0.38
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
TRPA1 O75762 1/20 0.36

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
SCHEMBL10344666 0.75 ESR1 (0.44) CYP2D6SRCTSHRLMNA
SCHEMBL27672496 0.75 CHRNA7 (0.44) LMNACES2CES1
SCHEMBL28247246 0.75 HDAC4 (0.46) CES2CES1
SCHEMBL11234754 0.74 MIF (0.41) CYP2D6SRCDPP4TSHRF2
SCHEMBL27609874 0.74 TSHR (0.38) CYP2D6SRCDPP4TSHRF2
SCHEMBL1323137 0.74 TSHR (0.52) DPP4TSHRF2LMNATRPA1
SCHEMBL10159567 0.74 TSHR (0.52) DPP4TSHRF2LMNATRPA1
SCHEMBL11317567 0.74 MIF (0.41) CYP2D6SRCDPP4TSHRF2
SCHEMBL11615117 0.73 CFTR (0.48) TSHRLMNA
SCHEMBL9795464 0.72 SRC (0.42) CYP2D6SRCDPP4TSHRF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2643000-A2 THERAPEUTIC PIPERAZINES Dart Neuroscience (Cayman) Ltd (KY) 2013-10-02 EP claimed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO claimed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 US claimed
EP-0942924-A2 METHODS AND COMPOUNDS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 1999-09-22 EP claimed
WO-1998022494-A2 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO claimed
US-4388310-A ANTIBIOTIC MERCK & CO., INC. (US) 1983-06-14 US claimed
US-4298741-A DETHIAPENICILLIN ANTIBIOTICS MERCK & CO., INC. (US) 1981-11-03 US claimed
US-4277482-A AMINO ACID DERIVATIVE ANTIBIOTICS MERCK & CO., INC. (US) 1981-07-07 US claimed
US-4269773-A CEPHALOSPORINS SHIONOGI & CO., LTD. (JP) 1981-05-26 US claimed
US-4255423-A BACTERICIDES MERCK & CO., INC. (US) 1981-03-10 US claimed
US-4224336-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-09-23 US claimed
US-4215124-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-07-29 US claimed
EP-0002210-A1 6- and 6,6- disubstituted-2-substituted-pen-2-em-3-carboxylic acids; processes for their preparation and pharmaceutical compositions containing such compounds MERCK & CO. INC. (US) 1979-06-13 EP claimed
US-4086423-A CEPHALOSPORINS, CYCLOADDITION OF GLYCINE DERIVATIVE TO THIAZINE COMPOUND MERCK & CO., INC. (US) 1978-04-25 US claimed
CN-107502412-A A kind of high temperature resistant type magnesium salts detergent for lubricating oil and preparation method thereof 黄山学院 2017-12-22 CN disclosed
CN-105392363-B Sample Fixation and Stabilization A·S·戈尔兹伯勒 2017-09-29 CN disclosed
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
US-3979384-A ANTIBIOTICS MERCK & CO., INC. (US) 1976-09-07 US disclosed
US-3974151-A Cephalosporin compounds MERCK & CO., INC. (US) 1976-08-10 US disclosed
US-3962231-A ANTIBIOTICS MERCK & CO., INC. (US) 1976-06-08 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 (1 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-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D CYP2D6 3447/4885SRC 3819/4885DPP4 125/4885

“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.