SCHEMBL7093740

SCHEMBL7093740

COc1ccc2ccn(CC(C)N)c2c1

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 19/20 0.81
HTR2A P28223 17/20 0.66
HTR2B P41595 1/20 0.58
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52

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
SCHEMBL7997598 1.00 HTR2C (0.81) HTR2CHTR2AHTR2BCYP1A2CYP3A4
Fumaric Acid SCHEMBL7088510 0.89 HTR2C (0.64) HTR2CHTR2AHTR2B
Fumaric Acid SCHEMBL7088508 0.89 HTR2C (0.64) HTR2CHTR2AHTR2B
SCHEMBL7983641 0.88 HTR2C (0.63) HTR2CHTR2AHTR2B
SCHEMBL7983649 0.88 HTR2C (0.63) HTR2CHTR2AHTR2B
SCHEMBL12386902 0.84 HTR2C (0.57) HTR2CHTR2AHTR2B
SCHEMBL8596900 0.81 HTR2C (0.66) HTR2CHTR2AHTR2B
SCHEMBL8596238 0.81 HTR2C (0.66) HTR2CHTR2AHTR2B
SCHEMBL14527161 0.81 HTR2C (0.57) HTR2CHTR2AHTR2BCYP1A2CYP3A4
SCHEMBL9230485 0.80 HTR2C (1.00) HTR2CHTR2AHTR2BCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030114512-A1 Compounds with 5-ht2 and 5-ht1a agonist activity for treating glaucoma ALCON UNIVERSAL LTD. (CH) 2003-06-19 US claimed
EP-1263434-A1 COMPOUNDS WITH 5-HT 2 AND 5-HT 1A AGONIST ACTIVITY FOR TREATING GLAUCOMA Alcon, Inc (CH) 2002-12-11 EP claimed
WO-2001070223-A1 COMPOUNDS WITH 5-HT2 AND 5-HT1A AGONIST ACTIVITY FOR TREATING GLAUCOMA ALCON, INC. (CH) 2001-09-27 WO claimed
WO-2001040183-A1 1-AMINOALKYL-1H-INDOLES FOR TREATING GLAUCOMA ALCON UNIVERSAL LTD. (CH) 2001-06-07 WO claimed
WO-2001040183-A1 1-AMINOALKYL-1H-INDOLES FOR TREATING GLAUCOMA ALCON UNIVERSAL LTD. (CH) 2001-06-07 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 (1 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-20030114512-A1 Compounds with 5-ht2 and 5-ht1a agonist activity for treating glaucoma HTR1A, HTR2A, HTR5A HTR2C 6/4885HTR2A 2/4885HTR2B 13/4885

“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.