SCHEMBL224375

SCHEMBL224375

O=C(N1CC2CC(C1)c1cc3nccnc3cc12)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.45
CHRNB4 P30926 2/20 0.45
CHRNA3 P32297 2/20 0.45
CHRNA1 P02708 1/20 0.45
CHRNG P07510 1/20 0.45
CHRNB1 P11230 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNA5 P30532 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
HTR3A P46098 1/20 0.45
CHRND Q07001 1/20 0.45
CHRNA2 Q15822 1/20 0.45
HPGD P15428 1/20 0.35
ESR2 Q92731 2/20 0.35
ECE2 P0DPD6 1/20 0.34
HPGDS O60760 1/20 0.33
RBP4 P02753 1/20 0.33
PROKR1 Q8TCW9 4/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL29349682 1.00 ESR1 (0.45) ESR1CHRNB4CHRNA3CHRNA1CHRNG
SCHEMBL13561413 1.00 ESR1 (0.45) ESR1CHRNB4CHRNA3CHRNA1CHRNG
SCHEMBL25402074 0.84 RBP4 (0.36) CHRNB2CHRNA4HPGDSRBP4PROKR1
SCHEMBL29761235 0.84 RBP4 (0.36) CHRNB2CHRNA4HPGDSRBP4PROKR1
SCHEMBL25951618 0.83 CHRNB2 (0.51) ESR1CHRNB4CHRNA3CHRNA1CHRNG
SCHEMBL8205378 0.81 CHRNB2 (0.50) ESR1CHRNB4CHRNA3CHRNA1CHRNG
SCHEMBL14003852 0.81 CHRNB2 (0.53) ESR1CHRNB2CHRNA4HPGDESR2
SCHEMBL225881 0.81 CHRNB2 (0.53) ESR1CHRNB2CHRNA4HPGDESR2
SCHEMBL225186 0.80 ESR1 (0.37) ESR1ESR2HPGDSRBP4PROKR1
SCHEMBL4689632 0.80 CHRNB2 (0.41) ESR1CHRNB2CHRNA4HPGDESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2581375-A2 IMPROVED METHODS FOR THE PREPARATION OF QUINOXALINE DERIVATIVES Medichem, S.A. (ES) 2013-04-17 EP claimed
US-11872234-B2 Vareniciline compound and process of manufacture thereof PAR PHARMACEUTICAL, INC. (US) 2024-01-16 US disclosed
US-11872234-B2 Vareniciline compound and process of manufacture thereof PAR PHARMACEUTICAL, INC. (US) 2024-01-16 US disclosed
US-11779587-B2 Vareniciline compound and process of manufacture thereof PAR PHARMACEUTICAL, INC. (US) 2023-10-10 US disclosed
US-11779587-B2 Vareniciline compound and process of manufacture thereof PAR PHARMACEUTICAL, INC. (US) 2023-10-10 US disclosed
US-20230285404-A1 VARENICLINE COMPOUND AND PROCESS OF MANUFACTURE THEREOF ENDO OPERATIONS LIMITED (IE) 2023-09-14 US disclosed
US-20230285407-A1 VARENICILINE COMPOUND AND PROCESS OF MANUFACTURE THEREOF WILMINGTON SAVINGS FUND SOCIETY, FSB, AS COLLATERAL AGENT 2023-09-14 US disclosed
US-20230285407-A1 VARENICILINE COMPOUND AND PROCESS OF MANUFACTURE THEREOF WILMINGTON SAVINGS FUND SOCIETY, FSB, AS COLLATERAL AGENT 2023-09-14 US disclosed
US-20230285406-A1 VARENICILINE COMPOUND AND PROCESS OF MANUFACTURE THEREOF WILMINGTON SAVINGS FUND SOCIETY, FSB, AS COLLATERAL AGENT 2023-09-14 US disclosed
US-20230285406-A1 VARENICILINE COMPOUND AND PROCESS OF MANUFACTURE THEREOF WILMINGTON SAVINGS FUND SOCIETY, FSB, AS COLLATERAL AGENT 2023-09-14 US disclosed
WO-2009155403-A2 PROCESSES FOR THE PREPARATION OF VARENICLINE AND INTERMEDIATES THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-12-23 WO disclosed
WO-2009065872-A2 IMPROVED PROCESSES FOR THE SYNTHESIS OF VARENICLINE L-TARTRATE MEDICHEM, S.A. (ES) 2009-05-28 WO disclosed
US-20080275051-A1 Preparation of High Purity Substituted Quinoxalines BUSCH FRANK R 2008-11-06 US disclosed
EP-1866308-B1 PREPARATION OF A HIGH PURITY SUBSTITUTED QUINOXALINE PFIZER PROD INC (US) 2008-10-22 EP disclosed
EP-1638971-B1 PREPARATION OF SUBSTITUTED QUINOXALINES FROM THE DIANILINE WITH 2,3-DIHYDROXY-1,4-DIOXANE PFIZER PROD INC (US) 2008-08-20 EP disclosed
WO-2008060487-A2 POLYMORPHS OF NICOTINIC INTERMEDIATES PFIZER PRODUCTS INC. (US) 2008-05-22 WO disclosed
WO-2007110730-A2 VARENICLINE STANDARDS AND IMPURITY CONTROLS PFIZER PRODUCTS INC. (US) 2007-10-04 WO disclosed
US-20070224690-A1 VARENICLINE STANDARDS AND IMPURITY CONTROLS PFIZER INC 2007-09-27 US disclosed
US-20070224690-A1 VARENICLINE STANDARDS AND IMPURITY CONTROLS PFIZER INC 2007-09-27 US disclosed
US-20070185327-A1 Preparation of substituted quinoxalines PFIZER INC 2007-08-09 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 (7 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-20230285407-A1 VARENICILINE COMPOUND AND PROCESS OF MANUFACTURE THEREOF COMT, CYP2C9, CYP3A7 ESR1 4403/4885CHRNB4 101/4885CHRNA3 70/4885
US-11779587-B2 Vareniciline compound and process of manufacture thereof COMT, CYP2C9, CYP3A7 ESR1 4403/4885CHRNB4 101/4885CHRNA3 70/4885
US-20070185327-A1 Preparation of substituted quinoxalines QDPR, DDT, NQO2 ESR1 3427/4885CHRNB4 442/4885CHRNA3 116/4885
US-20080275051-A1 Preparation of High Purity Substituted Quinoxalines QDPR, NQO2, NDUFA7 ESR1 4825/4885CHRNB4 315/4885CHRNA3 611/4885
US-20230285404-A1 VARENICLINE COMPOUND AND PROCESS OF MANUFACTURE THEREOF COMT, CYP2C9, CYP3A7 ESR1 4246/4885CHRNB4 43/4885CHRNA3 61/4885
US-11872234-B2 Vareniciline compound and process of manufacture thereof COMT, CYP2C9, CYP3A7 ESR1 4403/4885CHRNB4 101/4885CHRNA3 70/4885
US-20230285406-A1 VARENICILINE COMPOUND AND PROCESS OF MANUFACTURE THEREOF COMT, CYP2C9, CYP3A7 ESR1 4403/4885CHRNB4 101/4885CHRNA3 70/4885

“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.