SCHEMBL198401

SCHEMBL198401

Cc1ccccc1CC(O)C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.40
DPP8 Q6V1X1 3/20 0.40
DPP9 Q86TI2 3/20 0.40
FAP Q12884 2/20 0.40
TAAR1 Q96RJ0 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 3/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A3 Q01959 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
SCHEMBL28721836 0.81 TAAR1 (0.39) DPP4DPP8DPP9FAPTAAR1
SCHEMBL1442835 0.80 TAAR1 (0.42) DPP4DPP8DPP9FAPTAAR1
SCHEMBL13812287 0.77 TAAR1 (0.46) TAAR1PPARGPPARATSHRKMT2A
SCHEMBL197986 0.77 CYP1A1 (0.41) TAAR1PPARGPPARATSHRKMT2A
SCHEMBL28765830 0.77 IDO1 (0.42) DPP4DPP8DPP9FAPTAAR1
SCHEMBL16882780 0.77 TSHR (0.36) TSHR
SCHEMBL197708 0.77 TAAR1 (0.41) DPP4DPP8DPP9FAPTAAR1
SCHEMBL8417612 0.77 IDO1 (0.44) TAAR1TSHRMEN1KMT2AALDH1A1
SCHEMBL15319485 0.75 TAAR1 (0.45) TAAR1PPARGPPARATSHRALDH1A1
SCHEMBL26503628 0.75 TAAR1 (0.45) TAAR1PPARGPPARATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828594-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2017-11-28 US disclosed
US-20160355801-A1 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORPORATION 2016-12-08 US disclosed
US-9315792-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2016-04-19 US disclosed
US-9315792-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2016-04-19 US disclosed
US-9217164-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2015-12-22 US disclosed
US-9217164-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2015-12-22 US disclosed
EP-2327766-B1 Nitrilases BASF ENZYMES LLC (US) 2015-12-02 EP disclosed
EP-2327766-B1 Nitrilases BASF ENZYMES LLC (US) 2015-12-02 EP disclosed
EP-2319919-B1 Nitrilases BASF ENZYMES LLC (US) 2015-08-12 EP disclosed
EP-2319919-B1 Nitrilases BASF ENZYMES LLC (US) 2015-08-12 EP disclosed
WO-2008106662-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORPORATION (US) 2008-09-04 WO disclosed
EP-1578910-A4 NITRILASES VERENIUM CORP (US) 2008-06-04 EP disclosed
EP-1576108-A4 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORP (US) 2008-01-09 EP disclosed
EP-1578910-A2 NITRILASES DIVERSA CORPORATION (US) 2005-09-28 EP disclosed
EP-1576108-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM DIVERSA CORPORATION (US) 2005-09-21 EP disclosed
US-20040014195-A1 Nitrilases, nucleic acids encoding them and methods for making and using them DIVERSA CORPORATION (US) 2004-01-22 US disclosed
US-20040002147-A1 Nitrilases DIVERSA CORPORATION 2004-01-01 US disclosed
WO-2003097810-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM DIVERSA CORPORATION (US) 2003-11-27 WO disclosed
US-20030124698-A1 Which stereoselectively hydrolyze nitrites or cyanohydrins into acids and ammonia DIVERSA CORPORATION 2003-07-03 US disclosed
WO-2003000840-A2 NITRILASES DIVERSA CORPORATION (US) 2003-01-03 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-20040014195-A1 Nitrilases, nucleic acids encoding them and methods for making and using them RNGTT, NSUN2, NSUN3 DPP4 2633/4885DPP8 1130/4885DPP9 1518/4885
US-20040002147-A1 Nitrilases RNGTT, DNTT, NOP2 DPP4 1969/4885DPP8 947/4885DPP9 1395/4885
US-20030124698-A1 Which stereoselectively hydrolyze nitrites or cyanohydrins into acids and ammonia NIT2, DNPH1, ASNS DPP4 2034/4885DPP8 1375/4885DPP9 1092/4885

“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.