SCHEMBL5582592

SCHEMBL5582592

CC1=C(CN2CCCC2)COc2cc(NC(=O)NCC(c3ccccc3)c3ccccc3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.56
CCR3 P51677 6/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
TRPV1 Q8NER1 2/20 0.39
PRMT3 O60678 1/20 0.39
CACNA1B Q00975 1/20 0.39
RECQL P46063 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL5582742 0.80 MCHR1 (0.57) TRPV1
SCHEMBL7694273 0.79 ROCK2 (0.43) ROCK2SMN1; SMN2HTTTRPV1ALDH1A1
SCHEMBL5582928 0.78 CACNA2D1 (0.46) SMN1; SMN2HTTCACNA1BALDH1A1
SCHEMBL5582721 0.76 RAB9A (0.55) SMN1; SMN2ALDH1A1
SCHEMBL5582638 0.73 CYP3A4 (0.53) SMN1; SMN2
SCHEMBL5582614 0.72 MCHR1 (0.56) ROCK2SMN1; SMN2HTTTRPV1ALDH1A1
SCHEMBL17783813 0.72 ROCK2 (1.00) ROCK2
SCHEMBL5582758 0.71 USP2 (0.42) ROCK2SMN1; SMN2TRPV1ALDH1A1TSHR
SCHEMBL5582749 0.69 ACHE (0.41) ALDH1A1
SCHEMBL5582966 0.67 MCHR1 (0.62) ROCK2SMN1; SMN2TRPV1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-7115750-B1 Melanin concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-03 US disclosed
EP-1218336-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed
WO-2001021577-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-29 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-20070173498-A1 Melanin concentrating hormone antagonist MC1R, MCHR1, MCHR2 ROCK2 2461/4885CCR3 1257/4885SMN1; SMN2 3652/4885

“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.