SCHEMBL1929964

SCHEMBL1929964

O=C(O)c1cc(SCCc2ccccc2)c[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.51
BCL2A1 Q16548 5/20 0.51
RAB9A P51151 3/20 0.51
GAA P10253 1/20 0.51
DAO P14920 3/20 0.48
MAOA P21397 3/20 0.46
MAOB P27338 3/20 0.46
HDAC1 Q13547 1/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL10943967 0.86 DAO (0.61) MCL1BCL2A1RAB9AGAADAO
SCHEMBL1929494 0.84 ALDH1A1 (0.56) MCL1BCL2A1RAB9AGAADAO
SCHEMBL1149656 0.78 DAO (0.73) RAB9AGAADAOMEN1KMT2A
SCHEMBL20570156 0.77 DAO (0.76) DAO
SCHEMBL10946020 0.76 GPR84 (0.42) RAB9AGAADAOSMN1; SMN2KDM6B
SCHEMBL1149736 0.76 DAO (0.64) RAB9AGAADAOHDAC1NPC1
SCHEMBL27680546 0.75 RAB9A (0.72) RAB9AGAADAONPC1SMN1; SMN2
SCHEMBL10944610 0.75 TDP1 (0.44) RAB9AGAADAONPC1SMN1; SMN2
SCHEMBL10940113 0.75 MCL1 (0.49) MCL1RAB9AGAADAOMAOA
SCHEMBL6486526 0.71 HDAC1 (0.64) MCL1BCL2A1RAB9AGAAMAOA

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-7956049-B2 Melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-07 US disclosed
US-20090221548-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2009-09-03 US disclosed
US-7553836-B2 7-(4-Chlorophenyl)-2-(3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one trifluoroacetic acid salt; obesity; antidiabetic agents; antidepressants; anxiolytic agents; combination with antipsychotic drugs enhanced therayp for schizophrenic disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-30 US disclosed
EP-1987039-A2 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Brystol-Myers Squibb Company (US) 2008-11-05 EP disclosed
WO-2007092416-A2 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
US-20070185097-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 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 (2 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-20090221548-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R MCL1 4119/4885BCL2A1 2662/4885RAB9A 1168/4885
US-20070185097-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R MCL1 4119/4885BCL2A1 2662/4885RAB9A 1168/4885

“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.