SCHEMBL9911985

SCHEMBL9911985

O=CC1CC2C=CC1N(C(=O)OCc1ccccc1)C2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ELANE P08246 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTR2C P28335 1/20 0.41
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL13531488 0.83 SMN1; SMN2 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13888062 0.83 HTR2C (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14720711 0.82 AGTR2 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14720538 0.82 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14720487 0.82 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17793489 0.81 HTR2C (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14720805 0.81 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL26214868 0.80 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2882723 0.80 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12458052 0.80 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A

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-11840541-B2 Opioid receptor modulators THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-12-12 US disclosed
US-20230271976-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-08-31 US disclosed
US-20170334923-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-11-23 US disclosed
US-9250238-B2 Pathogen detection PURDUE RESEARCH FOUNDATION (US) 2016-02-02 US disclosed
US-9250238-B2 Pathogen detection PURDUE RESEARCH FOUNDATION (US) 2016-02-02 US disclosed
US-9150498-B2 Process for the preparation of oseltamivir and methyl 3-epi-shikimate COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-10-06 US disclosed
US-9150498-B2 Process for the preparation of oseltamivir and methyl 3-epi-shikimate COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-10-06 US disclosed
US-20140243537-A1 PROCESS FOR THE PREPARATION OF OSELTAMIVIR AND METHYL 3-EPI-SHIKIMATE COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-08-28 US disclosed
US-20140243537-A1 PROCESS FOR THE PREPARATION OF OSELTAMIVIR AND METHYL 3-EPI-SHIKIMATE COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-08-28 US disclosed
US-20130196872-A1 PATHOGEN DETECTION PURDUE RESEARCH FOUNDATION (US) 2013-08-01 US disclosed
US-20130196872-A1 PATHOGEN DETECTION PURDUE RESEARCH FOUNDATION (US) 2013-08-01 US disclosed
WO-2012050645-A9 PATHOGEN DETECTION PURDUE RESEARCH FOUNDATION (US) 2012-06-07 WO disclosed
WO-2012050645-A2 PATHOGEN DETECTION PURDUE RESEARCH FOUNDATION (US) 2012-04-19 WO disclosed
US-20100010225-A1 ISOQUINUCLIDINE DERIVATIVE AND METHOD FOR MANUFACTURING 1-CYCLOHEXENE-1-CARBOXYLIC ACID DERIVATIVE USING THE SAME THE UNIVERSITY OF TOKYO (JP) 2010-01-14 US disclosed
US-20100010225-A1 ISOQUINUCLIDINE DERIVATIVE AND METHOD FOR MANUFACTURING 1-CYCLOHEXENE-1-CARBOXYLIC ACID DERIVATIVE USING THE SAME THE UNIVERSITY OF TOKYO (JP) 2010-01-14 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 (5 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-20100010225-A1 ISOQUINUCLIDINE DERIVATIVE AND METHOD FOR MANUFACTURING 1-CYCLOHEXENE-1-CARBOXYLIC ACID DERIVATIVE USING THE SAME IMPDH1, IDO1, CYP2F1 PSEN1 2556/4885PSEN2 4050/4885APH1B 2522/4885
US-20140243537-A1 PROCESS FOR THE PREPARATION OF OSELTAMIVIR AND METHYL 3-EPI-SHIKIMATE CYP51A1, CYP2B6, CYP2C8 PSEN1 3775/4885PSEN2 4185/4885APH1B 3331/4885
US-20170334923-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 PSEN1 4634/4885PSEN2 4672/4885APH1B 4476/4885
US-20230271976-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 PSEN1 4355/4885PSEN2 4324/4885APH1B 4204/4885
US-11840541-B2 Opioid receptor modulators OPRM1, OPRL1, OPRD1 PSEN1 4634/4885PSEN2 4672/4885APH1B 4476/4885

“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.