SCHEMBL2000360

SCHEMBL2000360

NCc1c[nH]c2ccc(O)cc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.75
HTR1A P08908 5/20 0.75
HTR2A P28223 5/20 0.75
HTR2B P41595 5/20 0.75
CYP2D6 P10635 4/20 0.75
HTR1D P28221 4/20 0.75
CYP2C9 P11712 3/20 0.75
TSHR P16473 3/20 0.75
CYP1A2 P05177 3/20 0.75
CYP3A4 P08684 3/20 0.75
HTR1B P28222 2/20 0.75
HTR7 P34969 2/20 0.75
HTR3E A5X5Y0 1/20 0.75
HTR3B O95264 1/20 0.75
DRD1 P21728 1/20 0.75
HTR1E P28566 1/20 0.75
HTR1F P30939 1/20 0.75
DRD3 P35462 1/20 0.75
RECQL P46063 1/20 0.75
HTR3A P46098 1/20 0.75

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
Serotonin SCHEMBL1495 0.86 HTR2C (1.00) HTR2CHTR1AHTR2AHTR2BCYP2D6
Serotonin SCHEMBL30057954 0.86 HTR2C (1.00) HTR2CHTR1AHTR2AHTR2BCYP2D6
Serotonin SCHEMBL183226 0.86 HTR2C (1.00) HTR2CHTR1AHTR2AHTR2BCYP2D6
Serotonin SCHEMBL29349412 0.86 HTR2C (1.00) HTR2CHTR1AHTR2AHTR2BCYP2D6
SCHEMBL5424801 0.85 HTR2C (0.71) HTR2CHTR1AHTR2AHTR2BCYP2D6
Serotonin SCHEMBL25341783 0.84 HTR2C (1.00) HTR2CHTR1AHTR2AHTR2BCYP2D6
Serotonin SCHEMBL3091827 0.84 HTR2C (0.97) HTR2CHTR1AHTR2AHTR2BCYP2D6
Serotonin SCHEMBL396997 0.84 HTR2C (0.97) HTR2CHTR1AHTR2AHTR2BCYP2D6
Serotonin SCHEMBL1675866 0.84 HTR2C (0.97) HTR2CHTR1AHTR2AHTR2BCYP2D6
Serotonin SCHEMBL29781387 0.84 HTR2C (1.00) HTR2CHTR1AHTR2AHTR2BCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 US disclosed
EP-0240352-B1 5-FLUOROURACIL DERIVATIVES AND PROCESSES FOR PRODUCING THEREOF Chisso Corporation (JP) 1992-12-16 EP disclosed
US-4792607-A ANTICANCER MEDICINE INTERRMEDIATES CHISSO CORPORATION (JP) 1988-12-20 US disclosed
EP-0240352-A2 5-Fluorouracil derivatives and processes for producing thereof Chisso Corporation (JP) 1987-10-07 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 (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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 HTR2C 13/4885HTR1A 22/4885HTR2A 18/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT HTR2C 46/4885HTR1A 39/4885HTR2A 53/4885

“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.