SCHEMBL3792128

SCHEMBL3792128

CCCOc1ccc(F)c2c1c(CCN(C)C)cn2C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.40
HTR2A P28223 7/20 0.40
HTR2B P41595 6/20 0.40
HTR1A P08908 3/20 0.36
TAAR1 Q96RJ0 1/20 0.36
HTR6 P50406 2/20 0.36
HTR1D P28221 2/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
HTR1B P28222 1/20 0.32

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
SCHEMBL3804505 0.90 HTR2C (0.41) HTR2CHTR2AHTR2BHTR1ATAAR1
SCHEMBL3791251 0.88 HTR6 (0.41) HTR2CHTR2AHTR2BHTR1ATAAR1
SCHEMBL3806730 0.87 HTR2C (0.43) HTR2CHTR2AHTR2BHTR1ATAAR1
SCHEMBL3804057 0.85 HTR1A (0.46) HTR2CHTR2AHTR2BHTR1ATAAR1
SCHEMBL1163485 0.82 HTR2A (0.50) HTR2CHTR2AHTR2BTAAR1HTR6
SCHEMBL17150095 0.82 HTR1A (0.38) HTR2CHTR2AHTR2BHTR1ATAAR1
SCHEMBL25747462 0.82 HTR2C (0.34) HTR2CHTR2AHTR2BHTR1ATAAR1
SCHEMBL13592771 0.81 HTR2C (0.49) HTR2CHTR2AHTR2BHTR1ATAAR1
Hydrochloric Acid SCHEMBL4394176 0.80 HTR2C (0.48) HTR2CHTR2AHTR2BHTR1ATAAR1
SCHEMBL3805002 0.80 HTR6 (0.42) HTR2CHTR2AHTR2BHTR1ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254865-A1 INDOLE COMPOUNDS AND METHODS OF USE THEREOF ORGANIX, INC. (US) 2010-12-01 EP 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
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
WO-2009102805-A1 INDOLE COMPOUNDS AND METHODS OF USE THEREOF ORGANIX INC. (US) 2009-08-20 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-20090318527-A1 INDOLE COMPOUNDS AND METHODS OF USE THEREOF IDO1, IDO2, INMT HTR2C 30/4885HTR2A 27/4885HTR2B 32/4885

“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.