SCHEMBL5335072

SCHEMBL5335072

CSc1ccccc1N1CCN[C@H](C)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.43
HTR3A P46098 14/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
KHK P50053 3/20 0.41
CYP1A2 P05177 7/20 0.41
CYP3A4 P08684 7/20 0.41
CYP2D6 P10635 7/20 0.41
CYP2C9 P11712 7/20 0.41
HTR2C P28335 2/20 0.40
DRD4 P21917 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
PTGS1 P23219 1/20 0.39
HRH2 P25021 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR7 P34969 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL14387771 1.00 HTR1A (0.43) HTR1AHTR3AALDH1A1LMNAKHK
SCHEMBL5335772 1.00 HTR1A (0.43) HTR1AHTR3AALDH1A1LMNAKHK
SCHEMBL14355725 0.82 HTR1A (0.40) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL5331948 0.82 HTR1A (0.40) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL546962 0.79 HTR1A (0.67) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL21281577 0.79 ADRB1 (0.61) HTR1AHTR3AALDH1A1LMNAKHK
SCHEMBL21268764 0.79 ADRB1 (0.61) HTR1AHTR3AALDH1A1LMNAKHK
SCHEMBL21268746 0.79 ADRB1 (0.61) HTR1AHTR3AALDH1A1LMNAKHK
SCHEMBL336256 0.78 HTR1A (0.66) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL547368 0.78 MEN1 (0.56) ALDH1A1LMNAKHKHTR2CADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
EP-1368340-B1 PIPERAZINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS LILLY CO ELI (US) 2005-08-10 EP disclosed
US-20040092507-A1 Melanocortin receptor agonists ELI LILLY AND COMPANY 2004-05-13 US disclosed
EP-1368340-A1 PIPERAZINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-12-10 EP disclosed
WO-2002059108-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 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-20040092507-A1 Melanocortin receptor agonists MC1R, MC4R, MC5R HTR1A 77/4885HTR3A 105/4885ALDH1A1 1055/4885

“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.