SCHEMBL4612112

SCHEMBL4612112

CN1CC(C2CCCCC2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.41
HTR2C P28335 6/20 0.41
HTR2B P41595 6/20 0.41
HRH3 Q9Y5N1 5/20 0.41
SIGMAR1 Q99720 7/20 0.38
HRH1 P35367 2/20 0.36
HTR6 P50406 1/20 0.36
CREBBP Q92793 1/20 0.35

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
SCHEMBL2256940 0.91 SIGMAR1 (0.39) SIGMAR1HRH1HTR6
SCHEMBL8052796 0.83 HTR2C (0.41) HTR2AHTR2CSIGMAR1HRH1HTR6
SCHEMBL2982482 0.83 SIGMAR1 (0.43) HTR2CSIGMAR1HRH1HTR6CREBBP
SCHEMBL17888378 0.82 ROCK2 (0.43) HTR2AHTR2CHTR2B
SCHEMBL26149607 0.78 SRD5A1 (0.33)
SCHEMBL4119584 0.76 NOTUM (0.59) HTR2AHTR2CHTR2BHRH3CREBBP
SCHEMBL15187613 0.76 HTR2A (0.38) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL21400404 0.76 HCRTR1 (0.33) HTR2AHTR2CHTR2BHRH1
SCHEMBL15187612 0.75 CREBBP (0.39) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL28302484 0.75 MTNR1A (0.45) HTR2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341503-B1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2008-02-13 EP claimed
US-6835212-B2 Compound with a nucleophilic reaction center, aryl alcohol or benzyl alcohol derivatives and an oxidizing enzyme WELLA AKTIENGESELLSCHAFT (DE) 2004-12-28 US claimed
US-6652601-B2 For dyeing and subsequently decolorizing fibers such as keratin fibers WELLA AKTIENGESELLSCHAFT (DE) 2003-11-25 US claimed
EP-1341503-A2 AGENT AND METHOD FOR DYEING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2003-09-10 EP claimed
US-20030079301-A1 Agent for dyeing fibers comprising an indoline/indolium derivative WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-05-01 US claimed
US-20030041391-A1 Agent and method for dyeing keratin fibres Wella GmbH (DE) 2003-03-06 US claimed
EP-1227786-A1 AGENT FOR DYEING FIBRES COMPRISING AN INDOLINE/INDOLIUM DERIVATIVE Wella Aktiengesellschaft (DE) 2002-08-07 EP claimed
WO-2002047633-A2 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2002-06-20 WO claimed
WO-2001062219-A1 AGENT FOR DYEING FIBRES COMPRISING AN INDOLINE/INDOLIUM DERIVATIVE WELLA AKTIENGESELLSCHAFT (DE) 2001-08-30 WO claimed
EP-1341503-B1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2008-02-13 EP disclosed
US-6835212-B2 Compound with a nucleophilic reaction center, aryl alcohol or benzyl alcohol derivatives and an oxidizing enzyme WELLA AKTIENGESELLSCHAFT (DE) 2004-12-28 US disclosed
US-6652601-B2 For dyeing and subsequently decolorizing fibers such as keratin fibers WELLA AKTIENGESELLSCHAFT (DE) 2003-11-25 US disclosed
EP-1341503-A2 AGENT AND METHOD FOR DYEING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2003-09-10 EP disclosed
US-20030079301-A1 Agent for dyeing fibers comprising an indoline/indolium derivative WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-05-01 US disclosed
WO-2002047633-A2 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2002-06-20 WO disclosed
WO-2001062219-A1 AGENT FOR DYEING FIBRES COMPRISING AN INDOLINE/INDOLIUM DERIVATIVE WELLA AKTIENGESELLSCHAFT (DE) 2001-08-30 WO disclosed
US-5559231-A PHOTOCHROMIC, RECORDING MATERIAL, CLOTHING, GLASSES, WINDOWS TORAY INDUSTRIES, INC. (JP) 1996-09-24 US disclosed
EP-0358774-B1 NOVEL SPIROOXAZINE COMPOUNDS TORAY INDUSTRIES (JP) 1995-10-25 EP disclosed
US-5374723-A Photochromic dyes; resistance to repetition of coloration and discoloration TORAY INDUSTRIES, INC. (JP) 1994-12-20 US disclosed
EP-0358774-A1 NOVEL SPIROOXAZINE COMPOUNDS TORAY INDUSTRIES, INC. (JP) 1990-03-21 EP 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 (2 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-20030079301-A1 Agent for dyeing fibers comprising an indoline/indolium derivative IDO1, IDO2, KIT HTR2A 591/4885HTR2C 694/4885HTR2B 754/4885
US-20030041391-A1 Agent and method for dyeing keratin fibres KRT18, AKR7A2, ADH5 HTR2A 4453/4885HTR2C 4192/4885HTR2B 3923/4885

“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.