SCHEMBL9737959

SCHEMBL9737959

COC(=O)C1(Nc2ccccc2)CCN(CCc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.62
CA1 P00915 4/20 0.62
CA2 P00918 4/20 0.62
CA4 P22748 4/20 0.62
CA5A P35218 4/20 0.62
CA7 P43166 4/20 0.62
CA9 Q16790 4/20 0.62
CA13 Q8N1Q1 4/20 0.62
CA14 Q9ULX7 4/20 0.62
OPRM1 P35372 8/20 0.56
OPRK1 P41145 4/20 0.56
OPRD1 P41143 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
NPFFR1 Q9GZQ6 4/20 0.53
NPFFR2 Q9Y5X5 4/20 0.53
OPRL1 P41146 1/20 0.48
MMP1 P03956 1/20 0.48
MMP9 P14780 1/20 0.48
MMP13 P45452 1/20 0.48
ADAM17 P78536 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
SCHEMBL11565171 0.93 CA12 (0.55) CA12CA1CA2CA4CA5A
SCHEMBL11566362 0.92 CA12 (0.54) CA12CA1CA2CA4CA5A
SCHEMBL11567320 0.92 CA12 (0.60) CA12CA1CA2CA4CA5A
SCHEMBL11566381 0.92 CA12 (0.60) CA12CA1CA2CA4CA5A
Hydrochloric Acid SCHEMBL11565563 0.91 MMP1 (0.56) CA12CA1CA2CA4CA5A
SCHEMBL11567335 0.90 CA12 (0.53) CA12CA1CA2CA4CA5A
SCHEMBL11565095 0.89 CA12 (0.59) CA12CA1CA2CA4CA5A
SCHEMBL11566866 0.89 SIGMAR1 (0.53) CA12CA1CA2CA4CA5A
SCHEMBL11568177 0.88 CA12 (0.58) CA12CA1CA2CA4CA5A
SCHEMBL11566731 0.88 CA12 (0.60) CA12CA1CA2CA4CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-3998834-A ANALGESICS JANSSEN PHARMACEUTICA N.V. (BE) 1976-12-21 US claimed
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
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-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 CA12 2311/4885CA1 1220/4885CA2 1765/4885

“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.