SCHEMBL5126879

SCHEMBL5126879

CC(C)(C)c1ccc(S(=O)(=O)NCC2CCC(CN)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.55
ALDH1A1 P00352 8/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
CYP2C9 P11712 1/20 0.50
CNR2 P34972 2/20 0.47
CNR1 P21554 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PARG Q86W56 1/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALOX15 P16050 1/20 0.45
THRB P10828 1/20 0.45
TGFBR1 P36897 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL14606988 1.00 GBA1 (0.55) GBA1ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL14606688 1.00 GBA1 (0.55) GBA1ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL23052369 0.86 KMT2A (0.62) GBA1ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL14606617 0.84 ALDH1A1 (0.68) GBA1ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL14606672 0.84 ALDH1A1 (0.68) GBA1ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL13796499 0.83 GBA1 (0.49) GBA1ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL14606735 0.83 GBA1 (0.49) GBA1ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL14606884 0.81 GBA1 (0.59) GBA1ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL1594065 0.81 GBA1 (0.59) GBA1ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL14606888 0.81 GBA1 (0.59) GBA1ALDH1A1KMT2AMEN1CYP2C9

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 9 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
EP-1816127-A1 TRIAZINE DERIVATIVES FOR USE AS SELECTIVE NPY (Y5) ANTAGONISTS H. Lundbeck A/S (DK) 2007-08-08 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
US-20050176709-A1 Selective NPY (Y5) antagonists H. LUNDBECK A/S (DK) 2005-08-11 US disclosed
US-20040019050-A1 Selective NPY (Y5) antagonists (triazines) SYNAPTIC PHARMACEUTICAL CORPORATION 2004-01-29 US disclosed
US-6569856-B2 Treatment of feeding disorders, obesity, bulimia nervosa, sexual/reproductive disorders, depression, epileptic seizure, cardiovascular disorders, sleep disturbances SYNAPTIC PHARMACEUTICAL CORPORATION 2003-05-27 US disclosed
US-20020103201-A1 Selective NPY (Y5) antagonists (triazines) SYNAPTIC PHARMACEUTICAL CORPORATION 2002-08-01 US disclosed
US-6340683-B1 NEUROPEPTIDE Y ANTAGONISTS; TREATING EATING DISORDERS, SEXUAL/REPRODUCTIVE DISORDERS, DEPRESSION, EPILEPTIC SEIZURE, HYPERTENSION, CEREBRAL HEMORRHAGE, CONGESTIVE HEART FAILURE, SLEEP DISTURBANCES SYNAPTIC PHARMACEUTICAL CORPORATION 2002-01-22 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-20040019050-A1 Selective NPY (Y5) antagonists (triazines) NPY5R, NPY1R, NPY2R GBA1 1028/4885ALDH1A1 4535/4885KMT2A 3381/4885
US-20080045524-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R GBA1 829/4885ALDH1A1 4639/4885KMT2A 3078/4885
US-20020103201-A1 Selective NPY (Y5) antagonists (triazines) NPY5R, NPY1R, NPY2R GBA1 1028/4885ALDH1A1 4535/4885KMT2A 3381/4885
US-20050176709-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R GBA1 829/4885ALDH1A1 4639/4885KMT2A 3078/4885

“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.