SCHEMBL3393837

SCHEMBL3393837

NC(=O)Cc1cccc(Cl)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.59
TAAR1 Q96RJ0 1/20 0.53
IDO1 P14902 2/20 0.52
PKM P14618 1/20 0.47
ADRA2A P08913 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
HTR1A P08908 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
MAOA P21397 1/20 0.46
ADRA1D P25100 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL29760897 1.00 PNMT (0.59) PNMTTAAR1IDO1PKMADRA2A
SCHEMBL9890720 0.86 PKM (0.47) PNMTTAAR1IDO1PKMADRA2A
SCHEMBL3086828 0.85 PNMT (0.56) PNMTTAAR1IDO1MEN1KMT2A
SCHEMBL1091961 0.85 PKM (0.64) PNMTTAAR1IDO1PKMKMT2A
Hydrochloric Acid SCHEMBL7827446 0.83 PKM (0.62) PNMTTAAR1IDO1PKMKMT2A
SCHEMBL6194277 0.83 PNMT (0.58) PNMTTAAR1IDO1MEN1KMT2A
SCHEMBL2952259 0.82 P2RX7 (0.47) PKMADRA2AMEN1KMT2ALMNA
SCHEMBL17328561 0.82 P2RX7 (0.45) PNMTPKMADRA2AMEN1KMT2A
SCHEMBL6259615 0.82 ALDH1A1 (0.41) PNMTTAAR1NPSR1ALDH1A1
SCHEMBL5067382 0.81 TAAR1 (0.56) PNMTTAAR1IDO1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053985-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-03-03 US claimed
EP-2245011-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2010-11-03 EP claimed
WO-2009090173-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2009-07-23 WO claimed
EP-0046859-B1 PROCESS FOR THE PREPARATION OF 1-BROMO-3,5-DICHLOROBENZENE BASF Aktiengesellschaft (DE) 1983-07-06 EP claimed
CN-101816658-B HIV inhibiting pyrimidines derivatives JANSSEN PHARMACEUTICA NV 2014-08-27 CN disclosed
CN-101107234-B HIV inhibiting 2-(4-cyanophenylamino) pyrimidine derivatives TIBOTEC PHARM LTD 2013-06-19 CN disclosed
CN-101035773-B HIV inhibiting 1.2.4-triazin-6-one derivates JANSSEN PHARMACEUTICA NV 2012-06-06 CN disclosed
CN-101031558-B HIV inhibiting 5-heterocyclyl pyrimidines TIBOTEC PHARM LTD 2011-10-05 CN disclosed
CN-102151270-A Pyrimidine derivatives for the prevention of HIV infection JANSSEN PHARMACEUTICA NV 2011-08-17 CN disclosed
US-20110053985-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-03-03 US disclosed
CN-101119976-B HIV inhibiting 2-(4-cyanophenylamino) pyrimidine oxide derivatives TIBOTEC PHARM LTD 2010-12-22 CN disclosed
EP-2245011-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2010-11-03 EP disclosed
EP-0666744-A1 USE OF BHAP COMPOUNDS IN COMBINATION WITH OTHER NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR THE TREATMENT OF HIV INFECTION THE UPJOHN COMPANY (US) 1995-08-16 EP disclosed
EP-0514667-B1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMA CO LTD (JP) 1995-08-09 EP disclosed
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed
US-5244898-A Vasopressin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed
EP-0514667-A1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-25 EP disclosed
EP-0046859-A1 Process for the preparation of 1-bromo-3,5-dichlorobenzene BASF Aktiengesellschaft (DE) 1982-03-10 EP disclosed
EP-0000452-B1 1,2,4-OXADIAZOL DERIVATIVES, THEIR PREPARATION AND APPLICATION IN PHARMACEUTICAL COMPOSITIONS SYNTHELABO (FR) 1981-05-06 EP disclosed
EP-0000452-A1 1,2,4-Oxadiazol derivatives, their preparation and application in pharmaceutical compositions SYNTHELABO (FR) 1979-01-24 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 (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-20110053985-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 PNMT 15/4885TAAR1 41/4885IDO1 392/4885

“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.