SCHEMBL10108781

SCHEMBL10108781

CC(C)(C)N1CCN=C1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.54
▸ CYP2D6 P10635 2/20 0.54
▸ HTR1D P28221 1/20 0.46
▸ HTR1B P28222 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TAAR1 Q96RJ0 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ADRA1B P35368 1/20 0.38
▸ EED O75530 1/20 0.37
▸ DCAF15 Q66K64 1/20 0.37
▸ DRD4 P21917 1/20 0.36

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
SCHEMBL2514598 0.77 CYP1A2 (0.63) CYP1A2CYP2D6HTR1DTAAR1LMNA
SCHEMBL28089668 0.74 CYP1A2 (0.58) CYP1A2CYP2D6HTR1DHTR1BALDH1A1
SCHEMBL27326985 0.74 CYP1A2 (0.58) CYP1A2CYP2D6HTR1DHTR1BALDH1A1
SCHEMBL6185754 0.72 CYP1A2 (0.57) CYP1A2CYP2D6HTR1DHTR1BTAAR1
SCHEMBL11135471 0.72 CYP1A2 (0.71) CYP1A2CYP2D6HTR1DHTR1BTAAR1
SCHEMBL27666013 0.71 CYP1A2 (0.51) CYP1A2CYP2D6
SCHEMBL11190216 0.71 CYP2D6 (0.51) CYP1A2CYP2D6HTR1DHTR1BALDH1A1
SCHEMBL13990186 0.70 CYP1A2 (1.00) CYP1A2CYP2D6HTR1DHTR1BDRD4
SCHEMBL10608056 0.70 CYP1A2 (0.54) CYP1A2CYP2D6HTR1DHTR1BALDH1A1
SCHEMBL23121057 0.70 CYP1A2 (0.70) CYP1A2CYP2D6HTR1DHTR1BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11185853-B2 Catalysts for polycarbonate production SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2021-11-30 — — US disclosed
US-10662211-B2 Catalysts and methods for polymer synthesis Saurdi Aramco Technologies Company (SA) 2020-05-26 — — US disclosed
US-10464960-B2 Salen complexes with dianionic counterions SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2019-11-05 — — US disclosed
US-20190193062-A1 CATALYSTS FOR POLYCARBONATE PRODUCTION ARAMCO PERFORMANCE MATERIALS LLC 2019-06-27 — — US disclosed
US-20180179242-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. 2018-06-28 — — US disclosed
US-20180179242-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. 2018-06-28 — — US disclosed
US-9951096-B2 Catalysts and methods for polymer synthesis SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2018-04-24 — — US disclosed
US-9951096-B2 Catalysts and methods for polymer synthesis SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2018-04-24 — — US disclosed
US-9856349-B2 Catalysts and methods for polymer synthesis SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2018-01-02 — — US disclosed
US-20170183369-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2017-06-29 — — US disclosed
US-8946109-B2 Catalysts and methods for polymer synthesis NOVOMER, INC. (US) 2015-02-03 — — US disclosed
US-20140336354-A1 SALEN COMPLEXES WITH DIANIONIC COUNTERIONS SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2014-11-13 — — US disclosed
US-20130172524-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. (US) 2013-07-04 — — US disclosed
US-20130144031-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. (US) 2013-06-06 — — US disclosed
US-20130144032-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. (US) 2013-06-06 — — US disclosed
US-20130144033-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. (US) 2013-06-06 — — US disclosed
US-8101782-B2 Drug hybrid of rivastigmine or physostigmine with tranylcypromine, amoxapine, desipramine, nortriptyline, protriptyline, fluoxetine, fluvoxamine, paroxetine, duloxetine, betahistine, amlodipine, proylhexedrine, rimantadine, desloratadine; Alzheimer's disease; Parkinson's disease, impairment in memory COLUCID PHARMACEUTICALS, INC. (US) 2012-01-24 — — US disclosed
US-8101782-B2 Drug hybrid of rivastigmine or physostigmine with tranylcypromine, amoxapine, desipramine, nortriptyline, protriptyline, fluoxetine, fluvoxamine, paroxetine, duloxetine, betahistine, amlodipine, proylhexedrine, rimantadine, desloratadine; Alzheimer's disease; Parkinson's disease, impairment in memory COLUCID PHARMACEUTICALS, INC. (US) 2012-01-24 — — US disclosed
US-20080261950-A1 Compounds that inhibit cholinesterase COLUCID PHARMACEUTICALS, INC. (US) 2008-10-23 — — US disclosed
US-20080261950-A1 Compounds that inhibit cholinesterase COLUCID PHARMACEUTICALS, INC. (US) 2008-10-23 — — 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 (8 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-10662211-B2 Catalysts and methods for polymer synthesis PPOX, COASY, SOD1 CYP1A2 501/4885CYP2D6 690/4885HTR1D 4882/4885
US-10464960-B2 Salen complexes with dianionic counterions NCLN, POLN, NCL CYP1A2 4812/4885CYP2D6 3658/4885HTR1D 4878/4885
US-20140336354-A1 SALEN COMPLEXES WITH DIANIONIC COUNTERIONS NCLN, POLN, NCL CYP1A2 4812/4885CYP2D6 3658/4885HTR1D 4878/4885
US-20130144032-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS PPOX, COASY, SOD1 CYP1A2 501/4885CYP2D6 690/4885HTR1D 4882/4885
US-20180179242-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS PPOX, COASY, SOD1 CYP1A2 501/4885CYP2D6 690/4885HTR1D 4882/4885
US-20130144033-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS PPOX, COASY, SOD1 CYP1A2 501/4885CYP2D6 690/4885HTR1D 4882/4885
US-20080261950-A1 Compounds that inhibit cholinesterase ACHE, BCHE, CHAT CYP1A2 537/4885CYP2D6 956/4885HTR1D 1726/4885
US-20170183369-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS PPOX, COASY, SOD1 CYP1A2 501/4885CYP2D6 690/4885HTR1D 4882/4885

“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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