SCHEMBL4904964

SCHEMBL4904964

CN1CC=C(c2ccccc2CSc2cccc3ccccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
HTR1A P08908 1/20 0.46
ALOX15 P16050 1/20 0.46
SLC6A4 P31645 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CHAT P28329 1/20 0.44
DRD2 P14416 4/20 0.41
DRD4 P21917 4/20 0.41
ALDH1A1 P00352 1/20 0.40
NPY1R P25929 1/20 0.40
MAPK1 P28482 1/20 0.40
NPY2R P49146 1/20 0.40

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
Formic Acid SCHEMBL4813546 0.94 CHAT (0.42) HTR6LMNAKDM4EPOLBHTR1A
SCHEMBL7255363 0.80 HTR6 (0.58) HTR6LMNAKDM4EPOLBHTR1A
Bromide SCHEMBL9325716 0.79 HTR6 (0.57) HTR6LMNAKDM4EPOLBHTR1A
SCHEMBL1673482 0.76 HTR6 (0.54) HTR6LMNAKDM4EPOLBHTR1A
SCHEMBL4813544 0.75 HPGD (0.38) LMNAPOLBALDH1A1NPY1RMAPK1
SCHEMBL11194461 0.71 HTR6 (0.54) HTR6LMNAKDM4EPOLBHTR1A
SCHEMBL6745422 0.71 HTR6 (0.48) HTR6LMNAKDM4EPOLBHTR1A
SCHEMBL4824600 0.70 SLC6A4 (0.52) HTR6LMNAHTR1ASLC6A4ALDH1A1
SCHEMBL4824586 0.70 SLC6A4 (0.52) HTR6LMNAHTR1ASLC6A4ALDH1A1
SCHEMBL7816392 0.69 QDPR (0.54) HTR6LMNAKDM4EPOLBHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-10-30 US disclosed
US-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-10-30 US disclosed
US-7375125-B2 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
US-6699873-B1 EATING DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2004-03-02 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-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC3R HTR6 104/4885LMNA 2506/4885KDM4E 1351/4885

“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.