SCHEMBL8697392

SCHEMBL8697392

N#CC1(Nc2ccccc2)CCN(CCc2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 1.00
CA12 O43570 4/20 0.74
CA1 P00915 4/20 0.74
CA2 P00918 4/20 0.74
CA4 P22748 4/20 0.74
CA5A P35218 4/20 0.74
CA7 P43166 4/20 0.74
CA9 Q16790 4/20 0.74
CA13 Q8N1Q1 4/20 0.74
CA14 Q9ULX7 4/20 0.74
NPFFR1 Q9GZQ6 2/20 0.54
NPFFR2 Q9Y5X5 2/20 0.54
OPRM1 P35372 1/20 0.50
SLC6A3 Q01959 1/20 0.49
SIGMAR1 Q99720 2/20 0.47
LMNA P02545 1/20 0.47
CHRM2 P08172 1/20 0.47
ADRA2A P08913 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 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
SCHEMBL2985757 0.86 SMN1; SMN2 (0.75) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL21874406 0.84 SMN1; SMN2 (0.73) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL13534110 0.84 SMN1; SMN2 (0.73) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL14531064 0.82 SMN1; SMN2 (0.70) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL3161959 0.81 SMN1; SMN2 (0.68) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL8520095 0.79 SMN1; SMN2 (0.65) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL654710 0.78 SMN1; SMN2 (0.64) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL16876701 0.77 SMN1; SMN2 (0.63) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL5561697 0.77 SMN1; SMN2 (0.63) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL16876699 0.77 SMN1; SMN2 (0.63) SMN1; SMN2CA12CA1CA2CA4

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-8742111-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) 2014-06-03 US disclosed
US-8742111-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) 2014-06-03 US disclosed
US-8742111-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) 2014-06-03 US disclosed
US-20080319196-A1 Process for Synthesizing Remifentanil MALLINCKRODT INC. 2008-12-25 US disclosed
WO-2007061555-A1 PROCESS FOR SYNTHESIZING REMIFENTANIL MALLINCKRODT INC. (US) 2007-05-31 WO disclosed
US-5843900-A Bradykinin antagonists CORTECH, INC. (US) 1998-12-01 US disclosed
US-5126455-A Preparation of substituted alkali metal piperidine-4-carboxylates GLAXO INC. (US) 1992-06-30 US disclosed
US-5106983-A Process of making carfentanil and related analgesics THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1992-04-21 US disclosed
US-5039804-A Hydrolysis of 1,3,8,-triazaspiro 4.5!decane-2,4-diones, chemical intermediates for opium type analgesics GLAXO INC. (US) 1991-08-13 US disclosed
EP-0433048-A1 Preparation of substituted alkali metal piperidine-4-carboxylates GLAXO WELLCOME INC. (US) 1991-06-19 EP disclosed
US-4179569-A ANALGESIC INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 1979-12-18 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-20080319196-A1 Process for Synthesizing Remifentanil OPRK1, OPRM1, OGFR SMN1; SMN2 840/4885CA12 2311/4885CA1 1220/4885

“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.