SCHEMBL5331948

SCHEMBL5331948

CCC1CN(c2ccccc2SC)CCN1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.40
HTR3A P46098 13/20 0.40
DRD4 P21917 1/20 0.39
PRKCQ Q04759 1/20 0.39
PRKCD Q05655 1/20 0.39
CYP1A2 P05177 7/20 0.38
CYP3A4 P08684 7/20 0.38
CYP2D6 P10635 7/20 0.38
CYP2C9 P11712 7/20 0.38
ADRB1 P08588 4/20 0.36
ADRB2 P07550 1/20 0.36
PTGS1 P23219 1/20 0.36
HRH2 P25021 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR7 P34969 1/20 0.36
PTGS2 P35354 1/20 0.36
HRH1 P35367 1/20 0.36

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
SCHEMBL14355725 1.00 HTR1A (0.40) HTR1AHTR3ADRD4PRKCQPRKCD
SCHEMBL14387771 0.82 HTR1A (0.43) HTR1AHTR3ADRD4CYP1A2CYP3A4
SCHEMBL5335772 0.82 HTR1A (0.43) HTR1AHTR3ADRD4CYP1A2CYP3A4
SCHEMBL5335072 0.82 HTR1A (0.43) HTR1AHTR3ADRD4CYP1A2CYP3A4
SCHEMBL4241274 0.78 HTR6 (0.55) HTR1AHTR3APRKCQPRKCDCYP1A2
SCHEMBL4241279 0.78 HTR6 (0.55) HTR1AHTR3APRKCQPRKCDCYP1A2
SCHEMBL6709248 0.74 DRD4 (0.47) HTR1AHTR3ADRD4CYP1A2CYP3A4
SCHEMBL336256 0.74 HTR1A (0.66) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL31052034 0.71 ADRB1 (0.59) HTR1ACYP3A4ADRB1
SCHEMBL11388418 0.70 PRKCQ (0.49) PRKCQPRKCDADRB1

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-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

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 105/4885DRD4 766/4885

“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.