SCHEMBL2606079

SCHEMBL2606079

CN1CCCC1c1ccncc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.67
CHRNA7 P36544 4/20 0.67
CHRNA4 P43681 4/20 0.67
CHRNB4 P30926 3/20 0.67
CHRNA3 P32297 3/20 0.67
ALDH1A1 P00352 2/20 0.65
CHRNA2 Q15822 2/20 0.65
LMNA P02545 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
HTR3E A5X5Y0 1/20 0.65
PSIP1 O75475 1/20 0.65
TRPA1 O75762 1/20 0.65
HTR3B O95264 1/20 0.65
CHRNA1 P02708 1/20 0.65
CHRNG P07510 1/20 0.65
MAPT P10636 1/20 0.65
CHRNB1 P11230 1/20 0.65
CYP2A6 P11509 1/20 0.65
PTGS1 P23219 1/20 0.65
CHRNA5 P30532 1/20 0.65

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
SCHEMBL14235482 1.00 CHRNB2 (0.67) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL10079075 0.94 CHRNB2 (0.66) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL12090442 0.93 CHRNB2 (0.64) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL27892475 0.88 CHRNA7 (0.50) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL5553140 0.84 CHRNB2 (0.59) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL30089417 0.80 CHRNA7 (0.64) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL15836592 0.80 CHRNB2 (1.00) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL155935 0.80 CHRNB2 (1.00) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL13238778 0.80 CHRNB2 (1.00) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
(+/-)Nicotine SCHEMBL10909353 0.79 ALDH1A1 (1.00) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230404915-A1 RAPIDLY DISINTERGRATING COMPOSTIONS AND METHODS (Nicotine) Orcosa Inc. (US) 2023-12-21 US disclosed
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 C4 THERAPEUTICS, INC. (US) 2023-10-26 US disclosed
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 C4 THERAPEUTICS, INC. (US) 2023-10-26 US disclosed
EP-4243771-A1 RAPIDLY INFUSING COMPOSITIONS AND METHODS Orcosa Inc. (US) 2023-09-20 EP disclosed
EP-3250209-B1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INST FOR BRAIN DEVELOPMENT (US) 2023-09-13 EP disclosed
WO-2022104059-A1 RAPIDLY INFUSING COMPOSITIONS AND METHODS Orcosa Inc. (US) 2022-05-19 WO disclosed
WO-2021159015-A1 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-08-12 WO disclosed
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-01 US disclosed
EP-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed
US-10035799-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2018-07-31 US disclosed
US-20090215761-A1 QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF CYLENE PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
EP-1874731-A4 QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF CYLENE PHARMACEUTICALS INC (US) 2009-08-05 EP disclosed
US-7402579-B2 Quinobenzoxazine analogs and compositions CYLENE PHARMACEUTICALS, INC. (US) 2008-07-22 US disclosed
EP-1874731-A2 QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF Cylene Pharmaceuticals, Inc. (US) 2008-01-09 EP disclosed
US-20070287704-A1 7-amino-6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridine; central nervous system, respiratory, gastrointestinal or inflammatory diseases; joints, skin or eyes diseases; cancer; phosphodiesterase 4 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-13 US disclosed
US-20070287704-A1 7-amino-6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridine; central nervous system, respiratory, gastrointestinal or inflammatory diseases; joints, skin or eyes diseases; cancer; phosphodiesterase 4 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-13 US disclosed
WO-2007135026-A2 SUBSTITUTED PTERIDINES AS THERAPEUTIC AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-29 WO disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
US-20060264634-A1 Quinobenzoxazine analogs and methods of using thereof CYLENE PHARMACEUTICALS, INC. 2006-11-23 US disclosed
WO-2006113509-A2 QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF CYLENE PHARMACEUTICALS, INC. (US) 2006-10-26 WO 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-20060264634-A1 Quinobenzoxazine analogs and methods of using thereof CYP2W1, NQO2, UGT2B7 CHRNB2 1408/4885CHRNA7 1897/4885CHRNA4 2144/4885
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 CHRNB2 4733/4885CHRNA7 4356/4885CHRNA4 4631/4885
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 IKZF1, IKZF3, IKZF2 CHRNB2 3404/4885CHRNA7 3843/4885CHRNA4 3102/4885
US-20070287704-A1 7-amino-6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridine; central nervous system, respiratory, gastrointestinal or inflammatory diseases; joints, skin or eyes diseases; cancer; phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE4C CHRNB2 2596/4885CHRNA7 1546/4885CHRNA4 990/4885
US-10035799-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA CHRNB2 223/4885CHRNA7 303/4885CHRNA4 341/4885
US-20090215761-A1 QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF CYP2W1, NQO2, UGT2B7 CHRNB2 1408/4885CHRNA7 1897/4885CHRNA4 2144/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 CHRNB2 2141/4885CHRNA7 2234/4885CHRNA4 3028/4885

“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.