SCHEMBL2921113

SCHEMBL2921113

O=C(Nc1ccc2cc(CN3CCCCC3)ccc2c1)c1ccc(-c2ccc(Cl)cc2)nc1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.80
HTR2C P28335 8/20 0.80
CHRM1 P11229 1/20 0.53
HTR2A P28223 1/20 0.53
MLLT1 Q03111 1/20 0.52
CYP3A4 P08684 2/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
CYP2D6 P10635 1/20 0.51
THRB P10828 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP2C9 P11712 1/20 0.50
F10 P00742 1/20 0.50
ALDH1A1 P00352 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
SCHEMBL2926180 0.99 MCHR1 (0.82) MCHR1HTR2CCHRM1HTR2AMLLT1
SCHEMBL2927588 0.91 MCHR1 (0.80) MCHR1HTR2C
SCHEMBL5645500 0.90 MCHR1 (0.98) MCHR1HTR2CMLLT1CYP3A4POLB
SCHEMBL2926451 0.90 MCHR1 (0.82) MCHR1HTR2C
SCHEMBL2927690 0.90 MCHR1 (0.82) MCHR1HTR2C
SCHEMBL2926448 0.90 MCHR1 (0.81) MCHR1HTR2C
SCHEMBL5648304 0.89 MCHR1 (1.00) MCHR1HTR2CCYP3A4POLBGAA
SCHEMBL2926947 0.89 MCHR1 (0.82) MCHR1HTR2CSMN1; SMN2ALDH1A1
SCHEMBL2926522 0.88 MCHR1 (0.78) MCHR1HTR2CCHRM1HTR2AMLLT1
SCHEMBL2926587 0.88 MCHR1 (0.84) MCHR1HTR2CSMN1; SMN2ALDH1A1

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
EP-1285651-B1 MELANIN CONCENTRATING HORMONE ANTAGONISTS TAKEDA PHARMACEUTICAL (JP) 2010-09-01 EP disclosed
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 107/4885CHRM1 656/4885

“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.