SCHEMBL798249

SCHEMBL798249

c1ccc2c(CCNCc3c[nH]c4ccccc34)c[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MC1R Q01726 4/20 1.00
MC5R P33032 3/20 1.00
MC3R P41968 2/20 1.00
HTR2A P28223 3/20 0.73
G6PD P11413 1/20 0.69
HTR1A P08908 2/20 0.68
KDM4E B2RXH2 1/20 0.68
ALDH1A1 P00352 1/20 0.68
HTT P42858 1/20 0.68
KCNT1 Q5JUK3 1/20 0.66
GAA P10253 1/20 0.65
HTR6 P50406 3/20 0.64
DRD2 P14416 1/20 0.64
HTR7 P34969 1/20 0.64
KMT2A Q03164 2/20 0.61

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
SCHEMBL17232881 0.91 MC5R (0.83) MC1RMC5RMC3RHTR2AG6PD
SCHEMBL7970552 0.89 MC5R (0.81) MC1RMC5RMC3RHTR2AG6PD
SCHEMBL28268915 0.89 MC5R (0.80) MC1RMC5RMC3RHTR2AG6PD
SCHEMBL830201 0.89 MC5R (0.79) MC1RMC5RMC3RHTR2AG6PD
SCHEMBL28811757 0.88 MC1R (0.78) MC1RMC5RMC3RHTR2AG6PD
SCHEMBL18770219 0.88 MC5R (0.78) MC1RMC5RMC3RHTR2AG6PD
SCHEMBL878806 0.87 MC1R (0.76) MC1RMC5RMC3RHTR2AG6PD
Hydrochloric Acid SCHEMBL11188453 0.87 MC5R (0.77) MC1RMC5RMC3RHTR2AG6PD
SCHEMBL11922707 0.85 MC1R (0.73) MC1RMC5RMC3RHTR2AHTR1A
SCHEMBL11344810 0.85 MC5R (0.73) MC1RMC5RMC3RHTR2AG6PD

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
EP-2616439-B1 TRYPTAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN GASTROPATHY COUNCIL SCIENT IND RES (IN) 2015-12-16 EP disclosed
US-8901317-B2 Tryptamine derivatives, their preparation and their use in gastropathy COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-12-02 US disclosed
US-20130197052-A1 TRYPTAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN GASTROPATHY UNIVERSITY OF CALCUTTA (IN) 2013-08-01 US disclosed
EP-2616439-A1 TRYPTAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN GASTROPATHY Council of Scientific & Industrial Research (IN) 2013-07-24 EP disclosed
WO-2012035406-A1 TRYPTAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN GASTROPATHY COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-03-22 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-20130197052-A1 TRYPTAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN GASTROPATHY HTRA2, AIFM1, SI MC1R 1294/4885MC5R 1311/4885MC3R 448/4885

“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.