SCHEMBL4290054

SCHEMBL4290054

O=C(O)NCC1CCC(NC(=S)NC(=O)c2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.66
RAB9A P51151 3/20 0.66
HTT P42858 1/20 0.53
ALDH1A1 P00352 7/20 0.51
ALOX12 P18054 4/20 0.51
GLA P06280 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
MITF O75030 1/20 0.49
ATM Q13315 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
KMT2A Q03164 3/20 0.48
MAPK1 P28482 1/20 0.48
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL7475623 1.00 NPC1 (0.66) NPC1RAB9AHTTALDH1A1ALOX12
SCHEMBL5123025 0.91 NPC1 (0.60) NPC1RAB9AHTTALDH1A1ALOX12
SCHEMBL2584410 0.86 ALDH1A1 (0.65) NPC1RAB9AALDH1A1ALOX12GLA
SCHEMBL5161443 0.86 NPC1 (0.87) NPC1RAB9AHTTALDH1A1SMN1; SMN2
SCHEMBL5382549 0.84 ACACB (0.56) NPC1RAB9AHTT
SCHEMBL1593472 0.84 ACACB (0.56) NPC1RAB9AHTT
SCHEMBL5126108 0.83 NPC1 (0.54) NPC1RAB9AHTTALDH1A1ALOX12
SCHEMBL5126653 0.81 SMN1; SMN2 (0.53) NPC1RAB9AHTTALDH1A1ALOX12
SCHEMBL1594519 0.81 ALDH1A1 (0.56) NPC1RAB9AALDH1A1ALOX12GLA
SCHEMBL7474517 0.80 RAB9A (0.65) NPC1RAB9AHTTALDH1A1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217001-B2 Modification of feeding behavior IMPERIAL INNOVATIONS LIMITED 2012-07-10 US disclosed
US-20090209461-A1 MODIFICATION OF FEEDING BEHAVIOR IMPERIAL COLLEGE INNOVATIONS LTD. (GB) 2009-08-20 US disclosed
US-20080045524-A1 Selective NPY (Y5) antagonists H. LUNDBECK A/S (DK) 2008-02-21 US disclosed
US-7273880-B2 Selective NPY (Y5) antagonists H. LUNBECK A/S (DK) 2007-09-25 US disclosed
EP-1816127-A1 TRIAZINE DERIVATIVES FOR USE AS SELECTIVE NPY (Y5) ANTAGONISTS H. Lundbeck A/S (DK) 2007-08-08 EP disclosed
EP-1183245-B1 SELECTIVE NPY (Y5) ANTAGONISTS LUNDBECK & CO AS H (DK) 2007-05-09 EP disclosed
US-7189720-B2 Selective NPY (Y5) antagonists H. LUNDBECK A/S (DK) 2007-03-13 US disclosed
US-6989379-B1 Selective NPY (Y5) antagonists H. LUNDBICK A/S (DK) 2006-01-24 US disclosed
EP-1194421-B1 SELECTIVE NPY (Y5) ANTAGONISTS LUNDBECK & CO AS H (DK) 2005-10-12 EP disclosed
US-20050176709-A1 Selective NPY (Y5) antagonists H. LUNDBECK A/S (DK) 2005-08-11 US disclosed
US-20050137240-A1 Selective NPY (Y5) antagonists H. LUNDBECK A/S (DK) 2005-06-23 US disclosed
EP-1194421-A4 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMA CORP (US) 2002-09-11 EP disclosed
EP-1194421-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2002-04-10 EP disclosed
US-6225330-B1 Selective NPY (Y5) antagonists (tricyclics) SYNAPTIC PHARMACEUTICAL CORPORATION 2001-05-01 US disclosed
WO-2001002379-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2001-01-11 WO disclosed
US-6124331-A TREATING ABNORMAL FEEDING DISORDERS (OBESITY AND BULIMIA NERVOSA), SEXUAL/REPRODUCTIVE DISORDERS, DEPRESSION, EPILEPTIC SEIZURE, HYPERTENSION, CEREBRAL HEMORRHAGE, CONGESTIVE HEART FAILURE, SLEEP DISTURBANCES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-09-26 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 (4 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-20090209461-A1 MODIFICATION OF FEEDING BEHAVIOR NPY4R, NPY5R, NPY2R NPC1 4330/4885RAB9A 2380/4885HTT 1652/4885
US-20080045524-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R NPC1 1985/4885RAB9A 4151/4885HTT 685/4885
US-20050176709-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R NPC1 1985/4885RAB9A 4151/4885HTT 685/4885
US-20050137240-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R NPC1 1760/4885RAB9A 4038/4885HTT 708/4885

“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.