SCHEMBL5582638

SCHEMBL5582638

CC1=C(CN2CCCC2)COc2cc(NC(=O)N3CCC(N4CCCCC4)CC3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
MAPT P10636 6/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.42
CCR2 P41597 1/20 0.42
KCNH2 Q12809 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SHMT2 P34897 1/20 0.41
MCHR1 Q99705 1/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL5582731 0.85 MCHR1 (0.55) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL5582484 0.83 MCHR1 (0.59) MAPTSMN1; SMN2LMNAMCHR1TP53
SCHEMBL5582721 0.81 RAB9A (0.55) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL5582742 0.75 MCHR1 (0.57) MCHR1
SCHEMBL5582592 0.73 ROCK2 (0.56) SMN1; SMN2
SCHEMBL7694273 0.72 ROCK2 (0.43) SMN1; SMN2NPC1RAB9A
SCHEMBL24253871 0.70 CYP3A4 (0.63) CYP3A4CYP2D6CYP2C19MAPTESR1
SCHEMBL5582668 0.70 MCHR1 (0.59) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL14413284 0.69 CYP3A4 (0.68) CYP3A4CYP2D6CYP2C19MAPTESR1
SCHEMBL5583037 0.69 MCHR1 (0.57) MAPTSMN1; SMN2LMNANPC1RAB9A

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 CYP3A4 2973/4885CYP2D6 2688/4885CYP2C19 1595/4885

“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.