SCHEMBL14426460

SCHEMBL14426460

Cc1cccc(CNCCc2c[nH]c3ccccc23)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.72
▸ MC5R P33032 2/20 0.67
▸ MC3R P41968 2/20 0.67
▸ MC1R Q01726 2/20 0.67
▸ MEN1 O00255 2/20 0.61
▸ LMNA P02545 1/20 0.61
▸ TP53 P04637 1/20 0.61
▸ HTR2A P28223 3/20 0.60
▸ MAPT P10636 2/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ HTT P42858 2/20 0.57
▸ ALOX12 P18054 1/20 0.57
▸ BCHE P06276 2/20 0.56
▸ ACHE P22303 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ HTR1A P08908 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ HTR6 P50406 1/20 0.55
▸ HDAC3 O15379 1/20 0.55

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
SCHEMBL5947279 0.85 KMT2A (0.61) KMT2AMC5RMC3RMC1RMEN1
SCHEMBL18088393 0.85 MC5R (0.71) KMT2AMC5RMC3RMC1RMEN1
SCHEMBL830201 0.85 MC5R (0.79) KMT2AMC5RMC3RMC1RMEN1
SCHEMBL23745814 0.85 KMT2A (0.69) KMT2AMC5RMC3RMC1RMEN1
SCHEMBL5947468 0.85 HTR6 (0.74) KMT2AMC5RMC3RMC1RMEN1
SCHEMBL5947640 0.85 KMT2A (0.69) KMT2AMC5RMC3RMC1RMEN1
SCHEMBL31236286 0.84 MC5R (0.61) KMT2AMC5RMC3RMC1RMEN1
SCHEMBL25169575 0.84 KMT2A (1.00) KMT2AMC5RMC3RMC1RMEN1
SCHEMBL31113939 0.84 KMT2A (1.00) KMT2AMC5RMC3RMC1RMEN1
Hydrochloric Acid SCHEMBL11188453 0.84 MC5R (0.77) KMT2AMC5RMC3RMC1RMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230144974-A1 BENZYLTRYPTAMINE COMPOUNDS REUNION NEUROSCIENCE INC. 2023-05-11 — — US disclosed
US-20070196395-A1 Immunomodulatory compounds that target and inhibit the py'binding site of tyrosene kinase p56 lck sh2 domain UNIVERSITY OF MARYLAND, BALTIMORE 2007-08-23 — — US disclosed
US-20070196395-A1 Immunomodulatory compounds that target and inhibit the py'binding site of tyrosene kinase p56 lck sh2 domain UNIVERSITY OF MARYLAND, BALTIMORE 2007-08-23 — — 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-20230144974-A1 BENZYLTRYPTAMINE COMPOUNDS HTR2C, HTR2A, HTR3B KMT2A 1625/4885MC5R 165/4885MC3R 173/4885
US-20070196395-A1 Immunomodulatory compounds that target and inhibit the py'binding site of tyrosene kinase p56 lck sh2 domain LCK, PTPN6, PTPN22 KMT2A 2476/4885MC5R 3233/4885MC3R 2759/4885

“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.

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