SCHEMBL4403893

SCHEMBL4403893

CCCOc1c(F)ccc2c1c(CCN(C)C)cn2CCC

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.49
HTR2C P28335 8/20 0.46
HTR2A P28223 6/20 0.46
HTR2B P41595 4/20 0.46
ICMT O60725 1/20 0.36
HTR1A P08908 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
HTR1D P28221 1/20 0.33

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 SCHEMBL3803850 0.99 HTR6 (0.48) HTR6HTR2CHTR2AHTR2BICMT
SCHEMBL13592836 0.92 HTR6 (0.50) HTR6HTR2CHTR2AHTR2BICMT
Hydrochloric Acid SCHEMBL4397882 0.91 HTR6 (0.49) HTR6HTR2CHTR2AHTR2BICMT
SCHEMBL13592841 0.88 HTR6 (0.57) HTR6HTR2CHTR2AHTR2BICMT
Hydrochloric Acid SCHEMBL3803145 0.87 HTR6 (0.56) HTR6HTR2CHTR2AHTR2BICMT
SCHEMBL3809146 0.87 HTR6 (0.46) HTR6HTR2CHTR2AHTR2BTAAR1
SCHEMBL13592837 0.82 HTR2A (0.53) HTR6HTR2CHTR2AHTR2BHTR1A
SCHEMBL3804482 0.82 HTR2C (0.57) HTR6HTR2CHTR2AHTR2BICMT
Hydrochloric Acid SCHEMBL4398477 0.81 HTR2A (0.52) HTR6HTR2CHTR2AHTR2BHTR1A
SCHEMBL3791251 0.79 HTR6 (0.41) HTR6HTR2CHTR2AHTR2BICMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318527-A1 INDOLE COMPOUNDS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-12-24 US disclosed
US-20090318527-A1 INDOLE COMPOUNDS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-12-24 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 (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-20090318527-A1 INDOLE COMPOUNDS AND METHODS OF USE THEREOF IDO1, IDO2, INMT HTR6 8/4885HTR2C 30/4885HTR2A 27/4885

“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.