SCHEMBL6305902

SCHEMBL6305902

COc1ccc(-c2ccc(C(=O)Nc3ccc4cc(CN5CCC(c6ccc(N)cc6)CC5)ccc4c3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.58
HTR2C P28335 1/20 0.56
CCR5 P51681 3/20 0.56
CCR3 P51677 1/20 0.55
HIF1A Q16665 1/20 0.52
EPAS1 Q99814 1/20 0.52
PKM P14618 1/20 0.51
ACKR3 P25106 2/20 0.50
DRD4 P21917 1/20 0.50
DRD2 P14416 1/20 0.49
HDAC1 Q13547 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL6304894 0.96 MCHR1 (0.62) MCHR1HTR2CCCR5CCR3HIF1A
SCHEMBL6304577 0.92 MCHR1 (0.59) MCHR1HTR2CCCR5CCR3HIF1A
SCHEMBL6312127 0.92 MCHR1 (0.59) MCHR1HTR2CCCR5CCR3HIF1A
SCHEMBL6305331 0.92 MCHR1 (0.59) MCHR1HTR2CCCR5CCR3HIF1A
SCHEMBL6305654 0.91 ACKR3 (0.60) MCHR1HTR2CCCR3HIF1AEPAS1
SCHEMBL6304919 0.91 MCHR1 (0.69) MCHR1HTR2CCCR3HIF1AEPAS1
SCHEMBL6312554 0.91 MCHR1 (0.69) MCHR1HTR2CCCR3HIF1AEPAS1
SCHEMBL6305479 0.91 ACKR3 (0.60) MCHR1HTR2CCCR3HIF1AEPAS1
SCHEMBL6313069 0.88 CCR5 (0.58) MCHR1HTR2CCCR5CCR3HIF1A
SCHEMBL6312700 0.86 MCHR1 (0.63) MCHR1HTR2CACKR3DRD4DRD2

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-6930185-B2 Melanin-concentrating hormone antagonist TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-16 US disclosed
US-20040077628-A1 Melanin-concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-22 US disclosed
EP-1285651-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2003-02-26 EP 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-20040077628-A1 Melanin-concentrating hormone antagonist MCHR1, MC1R, MCHR2 MCHR1 1/4885HTR2C 107/4885CCR5 2103/4885

“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.