SCHEMBL5758301

SCHEMBL5758301

Fc1ccc2cc(C3=CCNCC3)sc2c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.44
HTR2C P28335 4/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
CDK9 P50750 5/20 0.39
CCNT1 O60563 4/20 0.39
SIGMAR1 Q99720 2/20 0.39
DRD2 P14416 1/20 0.38
QDPR P09417 2/20 0.37

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
SCHEMBL5756400 0.89 HTR6 (0.44) HTR6HTR2CHTR2AHTR7CDK9
SCHEMBL7864911 0.83 SIGMAR1 (0.51) HTR6HTR2CHTR2AHTR7CDK9
SCHEMBL4359750 0.81 SIGMAR1 (0.50) HTR2CSIGMAR1DRD2QDPR
SCHEMBL6312469 0.80 HTR6 (0.49) HTR6HTR2CHTR2AHTR7CDK9
SCHEMBL7859769 0.80 HTR6 (0.37) HTR6HTR2CSIGMAR1QDPR
Hydrochloric Acid SCHEMBL8321976 0.79 HTR2C (0.51) HTR2CSIGMAR1DRD2QDPR
SCHEMBL7870752 0.75 QDPR (0.42) HTR6HTR2CHTR7CDK9CCNT1
SCHEMBL7867297 0.74 SIGMAR1 (0.51) HTR6HTR2CHTR2AHTR7CDK9
SCHEMBL5760127 0.74 HTR2C (0.43) HTR6HTR2CHTR2AHTR7CDK9
SCHEMBL6312184 0.73 QDPR (0.55) HTR6HTR2CHTR2AHTR7SIGMAR1

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-7144898-B2 Indole derivatives for the treatment of depression and anxiety ELI LILLY AND COMPANY (US) 2006-12-05 US disclosed
EP-1242411-B1 INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AND ANXIETY LILLY CO ELI (US) 2006-03-08 EP disclosed
US-6844344-B2 Benzofuran derivatives ELI LILLY AND COMPANY (US) 2005-01-18 US disclosed
US-20040006229-A1 Indole derivatives for the treatment of depression and anxiety ELI LILLY AND COMPANY 2004-01-08 US disclosed
US-20030232833-A1 Benzofuran derivatives ELI LILLY AND COMPANY 2003-12-18 US 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-20040006229-A1 Indole derivatives for the treatment of depression and anxiety IDO1, TPH1, IDO2 HTR6 10/4885HTR2C 13/4885HTR2A 25/4885
US-20030232833-A1 Benzofuran derivatives BRD1, BPTF, HTR1F HTR6 38/4885HTR2C 52/4885HTR2A 124/4885

“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.