SCHEMBL3539422

SCHEMBL3539422

CC1CCC(C)C(CN)C1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
GABRR1 P24046 4/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
GABRR2 P28476 1/20 0.30

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
SCHEMBL23469096 0.84 NOS3 (0.31) EPHX2
SCHEMBL12077578 0.82 TRPA1 (0.33) EPHX2GABRR1L3MBTL1GABRR2
SCHEMBL3537569 0.82 EPHX2 (0.33) EPHX2HTR2AHTR2CHTR2BGABRR1
SCHEMBL3148808 0.81
SCHEMBL16191202 0.79 L3MBTL1 (0.32) L3MBTL1
SCHEMBL19934934 0.79
SCHEMBL6306091 0.79 L3MBTL1 (0.32) L3MBTL1
SCHEMBL10605419 0.78
SCHEMBL29201860 0.78 EPHX2 (0.35) EPHX2
SCHEMBL15107928 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046697-B2 Compounds and compositions useful for treating disorders related to NTRK BLUEPRINT MEDICINES CORPORATION 2021-06-29 US disclosed
EP-2593077-B1 CYCLOHEXYL CARBAMATE COMPOUNDS AS SKIN AND/OR HAIR LIGHTENING ACTIVES SYMRISE AG (DE) 2016-11-02 EP disclosed
US-9072676-B2 Cyclohexyl carbamate compounds as skin and/or hair lightening actives SYMRISE AG (DE) 2015-07-07 US disclosed
US-9072676-B2 Cyclohexyl carbamate compounds as skin and/or hair lightening actives SYMRISE AG (DE) 2015-07-07 US disclosed
US-9060949-B2 Menthyl carbamate compounds as skin and/or hair lightening actives SYMRISE AG (DE) 2015-06-23 US disclosed
US-9060949-B2 Menthyl carbamate compounds as skin and/or hair lightening actives SYMRISE AG (DE) 2015-06-23 US disclosed
US-9012497-B2 Cyclohexyl carbamate compounds as active anti-cellulite ingredients SYMRISE AG (DE) 2015-04-21 US disclosed
US-9012497-B2 Cyclohexyl carbamate compounds as active anti-cellulite ingredients SYMRISE AG (DE) 2015-04-21 US disclosed
US-20130156710-A1 CYCLOHEXYL CARBAMATE COMPOUNDS AS SKIN AND/OR HAIR LIGHTENING ACTIVES SYMRISE AG (DE) 2013-06-20 US disclosed
US-20130156710-A1 CYCLOHEXYL CARBAMATE COMPOUNDS AS SKIN AND/OR HAIR LIGHTENING ACTIVES SYMRISE AG (DE) 2013-06-20 US disclosed
EP-2389922-A1 Cyclohexyl carbamate compounds as anti-ageing actives Symrise AG (DE) 2011-11-30 EP disclosed
US-7687507-B2 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. (US) 2010-03-30 US disclosed
US-20050171128-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC 2005-08-04 US disclosed
US-6890929-B2 Immunosuppressants; lupus, multiple sclerosis, skin disorders, antiarthritic agents, antihistamines, antiulcer agents, Crohn's disease PFIZER, INC. (US) 2005-05-10 US disclosed
EP-1087970-B1 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS PFIZER PROD INC (US) 2004-04-28 EP disclosed
US-20030212273-A1 Pyrrolo [2,3-D] pyrimidine compounds PFIZER INC. 2003-11-13 US disclosed
US-6610847-B2 Tyrosine kinase inhibitors; immunosuppressants PFIZER INC. 2003-08-26 US disclosed
US-20020019526-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2002-02-14 US disclosed
EP-1087970-A1 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS Pfizer Products Inc. (US) 2001-04-04 EP disclosed
WO-1999065908-A1 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS PFIZER PRODUCTS INC. (US) 1999-12-23 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 (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-20020019526-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, JAK3, JAK2 EPHX2 3013/4885HTR2A 4306/4885HTR2C 3868/4885
US-20130156710-A1 CYCLOHEXYL CARBAMATE COMPOUNDS AS SKIN AND/OR HAIR LIGHTENING ACTIVES CBR1, CYP2A13, CBR3 EPHX2 1593/4885HTR2A 653/4885HTR2C 493/4885
US-20050171128-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK3, JAK1, JAK2 EPHX2 3229/4885HTR2A 4287/4885HTR2C 3883/4885
US-11046697-B2 Compounds and compositions useful for treating disorders related to NTRK NTRK3, NTRK2, NTRK1 EPHX2 4375/4885HTR2A 2952/4885HTR2C 3084/4885
US-20030212273-A1 Pyrrolo [2,3-D] pyrimidine compounds JAK1, JAK3, JAK2 EPHX2 3013/4885HTR2A 4306/4885HTR2C 3868/4885

“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.