SCHEMBL5582544

SCHEMBL5582544

c1ccc2oc(-c3conn3)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
MAPT P10636 4/20 0.53
METAP2 P50579 1/20 0.51
GRM4 Q14833 1/20 0.50
CYP19A1 P11511 1/20 0.47
MAOB P27338 4/20 0.45
MAOA P21397 3/20 0.45
CNR2 P34972 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
STAT1 P42224 1/20 0.44
F2RL3 Q96RI0 3/20 0.44
ADRA2A P08913 2/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43

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
SCHEMBL30036439 0.79 MAOB (0.63) NPC1RAB9AMAPTMETAP2GRM4
SCHEMBL103158 0.79 MAOB (0.63) NPC1RAB9AMAPTMETAP2GRM4
SCHEMBL2978295 0.78 TNKS (0.55) NPC1RAB9ACYP19A1MAOBSMN1; SMN2
SCHEMBL1414095 0.78 RAB9A (0.56) NPC1RAB9AMAPTMAOBSMN1; SMN2
SCHEMBL2149640 0.77 MAOB (0.57) NPC1RAB9AMAPTMETAP2GRM4
SCHEMBL30332746 0.77 NPC1 (0.57) NPC1RAB9AMAPTMETAP2GRM4
SCHEMBL29438803 0.76 MAOB (0.42) NPC1RAB9AMAOBMAOAKDM4E
SCHEMBL2150499 0.75 MAOB (0.59) NPC1RAB9AMAPTMETAP2GRM4
SCHEMBL8863943 0.72 RAB9A (0.61) NPC1RAB9AMAPTMETAP2GRM4
SCHEMBL29478404 0.71 GRM4 (0.61) NPC1RAB9AMAPTMETAP2GRM4

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 5 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-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
US-4304569-A Formulation for brightening synthetic fibers and its preparation and use CASSELLA AG. (DE) 1981-12-08 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-20070173498-A1 Melanin concentrating hormone antagonist MC1R, MCHR1, MCHR2 NPC1 1085/4885RAB9A 1813/4885MAPT 4140/4885

“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.