SCHEMBL3171094

SCHEMBL3171094

COC(=O)C1(Nc2ccccc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPFFR1 Q9GZQ6 6/20 0.60
▸ NPFFR2 Q9Y5X5 6/20 0.60
▸ OPRK1 P41145 2/20 0.60
▸ OPRM1 P35372 1/20 0.60
▸ OPRD1 P41143 1/20 0.60
▸ CYP2D6 P10635 5/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ BCHE P06276 1/20 0.50
▸ FAAH O00519 2/20 0.49
▸ TSHR P16473 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA4 P22748 1/20 0.47

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
SCHEMBL654615 0.93 OPRM1 (0.53) NPFFR1NPFFR2OPRK1OPRM1OPRD1
SCHEMBL11566839 0.92 OPRM1 (0.53) NPFFR1NPFFR2OPRK1OPRM1OPRD1
SCHEMBL11559495 0.92 CYP2D6 (0.57) NPFFR1NPFFR2OPRK1OPRM1OPRD1
SCHEMBL2985764 0.89 CYP2D6 (0.60) NPFFR1NPFFR2OPRK1OPRM1OPRD1
SCHEMBL11562813 0.89 NPFFR1 (0.60) NPFFR1NPFFR2OPRK1OPRM1OPRD1
Hydrochloric Acid SCHEMBL11455428 0.88 CYP2D6 (0.58) NPFFR1NPFFR2OPRK1OPRM1OPRD1
SCHEMBL9737959 0.87 CA12 (0.62) NPFFR1NPFFR2OPRK1OPRM1OPRD1
SCHEMBL11561939 0.87 NPFFR1 (0.53) NPFFR1NPFFR2OPRK1OPRM1OPRD1
SCHEMBL2985624 0.86 NPFFR1 (0.62) NPFFR1NPFFR2OPRK1OPRM1OPRD1
SCHEMBL11561860 0.86 UBE2M (0.55) NPFFR1NPFFR2OPRK1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110577489-B Synthetic method of narcotic analgesic 宜昌人福药业有限责任公司 2023-02-21 — — CN disclosed
EP-3643704-B1 NEW INTERMEDIATES FOR THE PREPARATION OF REMIFENTANIL HYDROCHLORIDE HAMELN PHARMA GMBH (DE) 2020-12-16 — — EP disclosed
US-10844014-B2 Intermediates for the preparation of remifentanil hydrochloride HAMELN PHARMA GMBH (DE) 2020-11-24 — — US disclosed
US-20200352917-A1 MEDICATED SPRAY FOR TREATMENT OF SUBSTANCE ABUSE, OVERDOSE, ADDICTION AND IMPULSE CONTROL DISORDERS GOOBERMAN LANCE L (US) 2020-11-12 — — US disclosed
US-20200131127-A1 INTERMEDIATES FOR THE PREPARATION OF REMIFENTANIL HYDROCHLORIDE HAMELN PHARMA PLUS GMBH (DE) 2020-04-30 — — US disclosed
EP-3643704-A1 NEW INTERMEDIATES FOR THE PREPARATION OF REMIFENTANIL HYDROCHLORIDE hameln pharma plus gmbh (DE) 2020-04-29 — — EP disclosed
CN-110577489-A Synthetic method of narcotic analgesic 宜昌人福药业有限责任公司 2019-12-17 — — CN disclosed
EP-3199523-A1 THE NEW PROCESS FOR PRODUCING N-PHENYL-N-(4-PIPERIDINYL) AMIDE DERIVATIVES SUCH AS REMIFENTANIL AND CARFENTANIL Bioka s. r.o. (SK) 2017-08-02 — — EP disclosed
US-9278929-B1 Synthesis of intermediate anilino methyl esters used in the production of synthetic opioid analgesics THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2016-03-08 — — US disclosed
US-9278929-B1 Synthesis of intermediate anilino methyl esters used in the production of synthetic opioid analgesics THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2016-03-08 — — US 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 (2 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-10844014-B2 Intermediates for the preparation of remifentanil hydrochloride OPRK1, OPRM1, OPRD1 NPFFR1 1217/4885NPFFR2 969/4885OPRK1 1/4885
US-20200131127-A1 INTERMEDIATES FOR THE PREPARATION OF REMIFENTANIL HYDROCHLORIDE OPRK1, OPRM1, OPRD1 NPFFR1 1217/4885NPFFR2 969/4885OPRK1 1/4885

“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.

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