SCHEMBL6301138

SCHEMBL6301138

CC([O])Cc1ccc2ccccc2c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.67
HTR2C P28335 1/20 0.67
HTR2B P41595 1/20 0.67
CYP1A2 P05177 1/20 0.55
CYP2A6 P11509 1/20 0.55
SIGMAR1 Q99720 3/20 0.50
MME P08473 1/20 0.46
ACE P12821 1/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
ADRB2 P07550 2/20 0.46
ACACB O00763 1/20 0.46
TACR1 P25103 2/20 0.45
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MC4R P32245 1/20 0.44
MC5R P33032 1/20 0.44

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
SCHEMBL3677922 0.83 HTR2A (0.71) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL7900491 0.81 HTR2A (0.53) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL6304187 0.80 HTR2A (0.67) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL31054149 0.80 HTR2A (1.00) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL8465868 0.80 HTR2A (0.67) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL268036 0.80 HTR2A (1.00) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL31054190 0.80 HTR2A (1.00) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL10937919 0.80 HTR2A (0.67) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL17413319 0.80 HTR2A (1.00) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL330288 0.80 HTR2A (0.67) HTR2AHTR2CHTR2BCYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171185-A1 Indole derivatives FUJISAWA PHARMACEUTICAL CO., LTD., A JAPANESE CORPORATION 2005-08-04 US disclosed
US-6869950-B1 Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-03-22 US disclosed
US-6420409-B1 GLUCOSE TOLERANCE, DIABETES,INSULIN RESISTANCE, POLYCYSTIC OVARY SYNDROME, HYPERLIPIDEMIA, ATHEROSCLEROSIS, CARDIOVASCULAR DISORDERS, HYPERGLYCEMIA, HYPERTENSION, STENOCARDIA, PULMONARY HYPERTENSION, CONGESTIVE HEART FAILURE, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
EP-1142880-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
EP-1070705-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-24 EP disclosed
EP-1020452-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 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 (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-20050171185-A1 Indole derivatives PDE5A, IGFBP5, HTR5A HTR2A 101/4885HTR2C 107/4885HTR2B 182/4885

“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.