SCHEMBL4022252

SCHEMBL4022252

COc1ccc(N)cc1OCCN1CCC(C)CC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 18/20 0.58
HTR2B P41595 11/20 0.58
HTR2A P28223 13/20 0.56
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
Hydrochloric Acid SCHEMBL5237943 0.99 HTR2C (0.57) HTR2CHTR2BHTR2ACYP1A2CYP2D6
SCHEMBL3865092 0.95 KDM4E (0.58) HTR2CHTR2BHTR2ACYP1A2CYP2D6
SCHEMBL1929865 0.86 HTR2C (0.58) HTR2CHTR2BHTR2A
SCHEMBL4023281 0.85 HTR2C (0.60) HTR2CHTR2BHTR2A
SCHEMBL5474831 0.85 HTR2C (0.60) HTR2CHTR2BHTR2A
SCHEMBL3866392 0.84 CYP1A2 (0.64) HTR2CHTR2BHTR2ACYP1A2CYP2D6
Hydrochloric Acid SCHEMBL4024775 0.84 HTR2C (0.59) HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL5467936 0.84 HTR2C (0.59) HTR2CHTR2BHTR2A
SCHEMBL3857018 0.83 ADRA1A (0.51) HTR2CHTR2BCYP1A2CYP2D6CYP2C9
SCHEMBL212928 0.83 HTR2C (0.59) HTR2CHTR2BHTR2ACYP2D6

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497265-B1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LTD (GB) 2009-02-18 EP disclosed
US-20070191457-A1 Compounds having activity at 5ht2c receptor and uses thereof GLAXO GROUP LIMITED (GB) 2007-08-16 US disclosed
US-20070191457-A1 Compounds having activity at 5ht2c receptor and uses thereof GLAXO GROUP LIMITED (GB) 2007-08-16 US disclosed
US-20070191457-A1 Compounds having activity at 5ht2c receptor and uses thereof GLAXO GROUP LIMITED (GB) 2007-08-16 US disclosed
EP-1603914-B1 COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF GLAXO GROUP LTD (GB) 2007-01-17 EP disclosed
EP-1603914-B1 COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF GLAXO GROUP LTD (GB) 2007-01-17 EP disclosed
EP-1611098-B1 COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF GLAXO GROUP LTD (GB) 2006-12-27 EP disclosed
US-20060281786-A1 Compounds having activity at 5ht2c receptor and uses thereof GLAXO GROUP LIMITED (GB) 2006-12-14 US disclosed
EP-1611098-A1 COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2006-01-04 EP disclosed
EP-1603914-A1 COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2005-12-14 EP disclosed
US-20050203079-A1 Compounds having affinity at 5ht2C receptor and use thereof in therapy GLAXO GROUP LIMITED 2005-09-15 US disclosed
EP-1497265-A1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2005-01-19 EP disclosed
WO-2004089897-A1 COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2004-10-21 WO disclosed
WO-2004081010-A1 COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2004-09-23 WO disclosed
WO-2003089409-A1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2003-10-30 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 (3 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-20070191457-A1 Compounds having activity at 5ht2c receptor and uses thereof HTR4, HTR7, HTR2C HTR2C 3/4885HTR2B 18/4885HTR2A 20/4885
US-20050203079-A1 Compounds having affinity at 5ht2C receptor and use thereof in therapy HTR7, HTR2C, HTR3C HTR2C 2/4885HTR2B 25/4885HTR2A 17/4885
US-20060281786-A1 Compounds having activity at 5ht2c receptor and uses thereof HTR2C, HTR4, HTR3C HTR2C 1/4885HTR2B 18/4885HTR2A 15/4885

“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.