SCHEMBL5121035

SCHEMBL5121035

CC(C)N(C=O)C1CCC(CNC(=S)NC(=O)c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
ALOX12 P18054 5/20 0.48
GLA P06280 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.44
ACHE P22303 1/20 0.44
MITF O75030 1/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL2584410 0.82 ALDH1A1 (0.65) ALDH1A1ALOX12GLASMN1; SMN2MITF
SCHEMBL5126646 0.81 SMN1; SMN2 (0.50) ALDH1A1ALOX12GLASMN1; SMN2ACHE
SCHEMBL5530332 0.77 ALDH1A1 (0.49) ALDH1A1ALOX12GLASMN1; SMN2MITF
SCHEMBL5392388 0.77 ALDH1A1 (0.51) ALDH1A1ALOX12GLASMN1; SMN2ACHE
SCHEMBL5388097 0.77 ALDH1A1 (0.52) ALDH1A1ALOX12GLASMN1; SMN2ACHE
SCHEMBL1594516 0.77 ALDH1A1 (0.52) ALDH1A1ALOX12GLASMN1; SMN2ACHE
SCHEMBL5126108 0.77 NPC1 (0.54) ALDH1A1ALOX12GLASMN1; SMN2MITF
SCHEMBL7474517 0.76 RAB9A (0.65) ALDH1A1ALOX12GLASMN1; SMN2ACHE
SCHEMBL5127574 0.76 ADH1B (0.49) ALDH1A1SMN1; SMN2KMT2AMEN1CYP2C9
SCHEMBL5123025 0.75 NPC1 (0.60) ALDH1A1ALOX12GLASMN1; SMN2MITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1183245-A4 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMA CORP (US) 2002-10-02 EP disclosed
EP-1183245-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2002-03-06 EP disclosed
US-6218408-B1 FOR THERAPY OF EATING DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-04-17 US disclosed
US-6214853-B1 DIETETICS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-04-10 US disclosed
WO-2000064880-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-11-02 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 (3 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-20080045524-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R ALDH1A1 4639/4885ALOX12 2267/4885GLA 3375/4885
US-20050176709-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R ALDH1A1 4639/4885ALOX12 2267/4885GLA 3375/4885
US-20050137240-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R ALDH1A1 4658/4885ALOX12 2367/4885GLA 3204/4885

“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.