SCHEMBL3167579

SCHEMBL3167579

COCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 10/20 0.60
NPFFR2 Q9Y5X5 10/20 0.60
OPRK1 P41145 2/20 0.51
CYP2D6 P10635 1/20 0.48
CYP3A4 P08684 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SIGMAR1 Q99720 2/20 0.47
OPRM1 P35372 1/20 0.46
OPRL1 P41146 1/20 0.46
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
HIF1A Q16665 1/20 0.44

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
Hydrochloric Acid SCHEMBL11565355 0.99 NPFFR1 (0.58) NPFFR1NPFFR2OPRK1CYP2D6CYP3A4
Hydrochloric Acid SCHEMBL27922841 0.99 NPFFR1 (0.58) NPFFR1NPFFR2OPRK1CYP2D6CYP3A4
SCHEMBL11447239 0.92 POLB (0.52) NPFFR1NPFFR2OPRK1CYP2D6CYP3A4
SCHEMBL11448347 0.91 NPFFR1 (0.51) NPFFR1NPFFR2OPRK1CYP2D6CYP3A4
SCHEMBL13525518 0.91 NPFFR1 (0.56) NPFFR1NPFFR2OPRK1CYP2D6CYP3A4
SCHEMBL8526584 0.89 NPFFR1 (0.57) NPFFR1NPFFR2OPRK1CYP2D6CYP3A4
SCHEMBL11447661 0.89 KDM4E (0.50) NPFFR1NPFFR2OPRK1CYP2D6SIGMAR1
SCHEMBL9148987 0.86 NPFFR1 (0.61) NPFFR1NPFFR2OPRK1SIGMAR1OPRM1
SCHEMBL7953417 0.86 NPFFR1 (0.57) NPFFR1NPFFR2OPRK1CYP2D6CYP3A4
SCHEMBL8520086 0.86 NPFFR1 (0.63) NPFFR1NPFFR2OPRK1CYP2D6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3134079-A1 SUBSTITUTED N-(2-(AMINO)-2-OXOETHYL)BENZAMIDE INHIBITORS OF AUTOTAXIN AND THEIR PREPARATION AND USE IN THE TREATMENT OF LPA-DEPENDENT OR LPA-MEDIATED DISEASES X-RX Discovery, Inc. (US) 2017-03-01 EP disclosed
US-20170037007-A1 SUBSTITUTED N-(2-(AMINO)-2OXOETHYL)BENZAMIDE INHIBITORS OF AUTOTAXIN AND THEIR PREPARATION AND USE IN THE TREATMENT OF LPA-DEPENDENT OR LPA-MEDIATED DISEASES X-RX, INC. 2017-02-09 US disclosed
US-20170037007-A1 SUBSTITUTED N-(2-(AMINO)-2OXOETHYL)BENZAMIDE INHIBITORS OF AUTOTAXIN AND THEIR PREPARATION AND USE IN THE TREATMENT OF LPA-DEPENDENT OR LPA-MEDIATED DISEASES X-RX, INC. 2017-02-09 US disclosed
US-20170037007-A1 SUBSTITUTED N-(2-(AMINO)-2OXOETHYL)BENZAMIDE INHIBITORS OF AUTOTAXIN AND THEIR PREPARATION AND USE IN THE TREATMENT OF LPA-DEPENDENT OR LPA-MEDIATED DISEASES X-RX, INC. 2017-02-09 US disclosed
WO-2015175171-A1 SUBSTITUTED N-(2-(AMINO)-2-OXOETHYL)BENZAMIDE INHIBITORS OF AUTOTAXIN AND THEIR PREPARATION AND USE IN THE TREATMENT OF LPA-DEPENDENT OR LPA-MEDIATED DISEASES X-RX DISCOVERY, INC. (US) 2015-11-19 WO disclosed
WO-2015175171-A1 SUBSTITUTED N-(2-(AMINO)-2-OXOETHYL)BENZAMIDE INHIBITORS OF AUTOTAXIN AND THEIR PREPARATION AND USE IN THE TREATMENT OF LPA-DEPENDENT OR LPA-MEDIATED DISEASES X-RX DISCOVERY, INC. (US) 2015-11-19 WO disclosed
EP-2455377-B1 Synthesis of fentanyl analogs HAMELN RDS GMBH (DE) 2014-07-09 EP disclosed
EP-2455377-B1 Synthesis of fentanyl analogs HAMELN RDS GMBH (DE) 2014-07-09 EP disclosed
EP-2455377-A1 Synthesis of fentanyl analogs hameln rds gmbh (DE) 2012-05-23 EP disclosed
EP-2455377-A1 Synthesis of fentanyl analogs hameln rds gmbh (DE) 2012-05-23 EP disclosed
US-4208418-A ANTIARRHYTHMIA JANSSEN PHARMACEUTICA N.V. (BE) 1980-06-17 US disclosed
US-4198411-A ANTIARRHYTHMIC AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1980-04-15 US disclosed
US-4197303-A ANTIARRHYTHMIA AGENTS, ALKOXYCARBONYL ON 4-POSITION OF PIPERIDINE JANSSEN PHARMACEUTICA N.V. (BE) 1980-04-08 US disclosed
US-4197304-A ANTIARRHYTHMIA AGENTS, N-PYRIDINYL-N-(4-ALKYLPIPERIDINYL)THIENYLACETAMIDES JANSSEN PHARMACEUTICA N.V. (BE) 1980-04-08 US disclosed
US-4196210-A ANTIARRHYTHMIA AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1980-04-01 US disclosed
US-4179569-A ANALGESIC INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 1979-12-18 US disclosed
US-4157393-A ANTIARRHYTHMIA AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1979-06-05 US disclosed
US-4151286-A ANTIARRHYTHMIC AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1979-04-24 US disclosed
US-4126689-A ANTIARRHYTHMIA JANSSEN PHARMACEUTICA N.V. (BE) 1978-11-21 US disclosed
US-3998834-A ANALGESICS JANSSEN PHARMACEUTICA N.V. (BE) 1976-12-21 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-20170037007-A1 SUBSTITUTED N-(2-(AMINO)-2OXOETHYL)BENZAMIDE INHIBITORS OF AUTOTAXIN AND THEIR PREPARATION AND USE IN THE TREATMENT OF LPA-DEPENDENT OR LPA-MEDIATED DISEASES ENPP2, LPAR2, LPCAT3 NPFFR1 2152/4885NPFFR2 1207/4885OPRK1 2580/4885

“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.