SCHEMBL3178014

SCHEMBL3178014

OCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 8/20 0.67
NPFFR2 Q9Y5X5 8/20 0.67
OPRK1 P41145 3/20 0.57
POLB P06746 1/20 0.55
OPRL1 P41146 1/20 0.53
CYP3A4 P08684 1/20 0.51
HSD17B10 Q99714 1/20 0.51
SIGMAR1 Q99720 1/20 0.50
OPRM1 P35372 2/20 0.49
OPRD1 P41143 2/20 0.49
CCR3 P51677 1/20 0.48
FAAH O00519 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
HIF1A Q16665 1/20 0.48

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 SCHEMBL6123389 1.00 NPFFR1 (0.67) NPFFR1NPFFR2OPRK1POLBOPRL1
SCHEMBL11565877 0.90 NPFFR1 (0.57) NPFFR1NPFFR2OPRK1POLBOPRL1
SCHEMBL11566400 0.90 NPFFR1 (0.57) NPFFR1NPFFR2OPRK1POLBOPRL1
SCHEMBL8206701 0.87 NPFFR1 (0.54) NPFFR1NPFFR2OPRK1POLBOPRL1
SCHEMBL7834387 0.87 ALDH1A1 (0.55) NPFFR1NPFFR2OPRK1POLBSIGMAR1
SCHEMBL11565487 0.87 SIGMAR1 (0.58) NPFFR1NPFFR2OPRK1POLBSIGMAR1
SCHEMBL9149473 0.85 NPFFR1 (0.69) NPFFR1NPFFR2SIGMAR1KMT2A
SCHEMBL8520086 0.84 NPFFR1 (0.63) NPFFR1NPFFR2OPRK1POLBOPRL1
SCHEMBL11569157 0.84 UBE2M (0.54) NPFFR1NPFFR2POLBOPRL1SIGMAR1
SCHEMBL11564980 0.84 NPFFR1 (0.65) NPFFR1NPFFR2OPRK1HSD17B10SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022267798-A1 μ/δ OPIOID RECEPTOR DUAL AGONIST AND MEDICAL USE THEREOF 中国人民解放军军事科学院军事医学研究院 2022-12-29 WO disclosed
WO-2022267798-A1 μ/δ OPIOID RECEPTOR DUAL AGONIST AND MEDICAL USE THEREOF 中国人民解放军军事科学院军事医学研究院 2022-12-29 WO disclosed
CN-113292634-B Mu/delta opioid receptor dual agonist and medical application thereof 中国人民解放军军事科学院军事医学研究院 2022-03-11 CN disclosed
CN-113292634-A Mu/delta opioid receptor dual agonist and medical application thereof 中国人民解放军军事科学院军事医学研究院 2021-08-24 CN disclosed
CN-107205972-A 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股份有限公司 2017-09-26 CN disclosed
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
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.