SCHEMBL2768036

SCHEMBL2768036

COc1ccc(N2CCNCC2)c(C#N)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.66
HTR3E A5X5Y0 2/20 0.66
HTR3B O95264 2/20 0.66
HTR3D Q70Z44 2/20 0.66
HTR3C Q8WXA8 2/20 0.66
GAA P10253 2/20 0.56
MAPT P10636 1/20 0.56
HSD17B10 Q99714 1/20 0.56
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
POLB P06746 1/20 0.54
UBE2N P61088 1/20 0.54
KMT2A Q03164 1/20 0.54
ADRB1 P08588 3/20 0.53
SIGMAR1 Q99720 1/20 0.53
NCF1 P14598 1/20 0.52
HTR1A P08908 6/20 0.51
HTR1B P28222 2/20 0.51
HTR1D P28221 1/20 0.51
HTR7 P34969 2/20 0.50

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
SCHEMBL29232371 0.90 HTR3A (0.60) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL14922251 0.84 RET (0.51) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL30156864 0.80 HTR3A (0.49) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL30747759 0.80 HTR3A (0.71) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL3712047 0.80 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7412675 0.80 HTR3A (0.71) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL20883839 0.80 HTR3A (0.52) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL233151 0.80 HTR3A (0.71) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2462707 0.78 HTR3A (0.69) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL19186678 0.78 HTR3A (0.69) HTR3AHTR3EHTR3BHTR3DHTR3C

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
EP-2938608-B1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD BURNHAM MED RES INST (US) 2021-08-04 EP disclosed
US-9868707-B2 Small molecule agonists of neurotensin receptor 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-01-16 US disclosed
US-20150329497-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 DUKE UNIVERSITY (US) 2015-11-19 US disclosed
EP-2938608-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 Sanford-Burnham Medical Research Institute (US) 2015-11-04 EP disclosed
WO-2014100501-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2014-06-26 WO disclosed
EP-1627871-B1 CYCLIC AMINOPHENYL SULFAMATE DERIVATIVE ASKA PHARM CO LTD (JP) 2010-04-14 EP disclosed
US-7449466-B2 Cyclic aminophenyl sulfamate derivative ASKA PHARMACEUTICAL CO., LTD. (JP) 2008-11-11 US disclosed
US-20060189625-A1 Cyclic aminophenyl sulfamate derivative ASKA PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
EP-1627871-A1 CYCLIC AMINOPHENYL SULFAMATE DERIVATIVE Teikoku Hormone Mfg. Co., Ltd. (JP) 2006-02-22 EP 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-20150329497-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 NTSR1, NTSR2, VIPR1 HTR3A 166/4885HTR3E 290/4885HTR3B 121/4885
US-20060189625-A1 Cyclic aminophenyl sulfamate derivative SHBG, STS, ARSA HTR3A 1638/4885HTR3E 1412/4885HTR3B 991/4885

“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.