SCHEMBL15834278

SCHEMBL15834278

c1ccc(N2CCNCC2)c(N2CCCCC2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 6/20 0.64
MAPK1 P28482 1/20 0.59
HTR6 P50406 4/20 0.58
HTR7 P34969 3/20 0.58
HTR3E A5X5Y0 3/20 0.58
HTR3B O95264 3/20 0.58
HTR3A P46098 3/20 0.58
HTR3D Q70Z44 3/20 0.58
HTR3C Q8WXA8 3/20 0.58
SIGMAR1 Q99720 3/20 0.58
HTR1A P08908 2/20 0.58
HTR2A P28223 2/20 0.58
HTR5A P47898 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
NCF1 P14598 1/20 0.58
TSHR P16473 1/20 0.58
NFKB1 P19838 1/20 0.58
HTR1D P28221 1/20 0.58
HTR1B P28222 1/20 0.58

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
SCHEMBL17276365 0.98 ADRB1 (0.67) ADRB1MAPK1HTR6HTR7HTR3E
SCHEMBL22652955 0.93 ADRB1 (0.67) ADRB1HTR6HTR7HTR3EHTR3B
SCHEMBL15834279 0.91 ADRB1 (0.75) ADRB1HTR6HTR7HTR3EHTR3B
SCHEMBL27934132 0.86 MAPK1 (0.74) MAPK1NCF1TSHRHSD17B10KDM4E
SCHEMBL26219177 0.83 MAPK1 (0.70) ADRB1MAPK1TSHRHSD17B10KDM4E
SCHEMBL3612685 0.80 ADRB1 (0.85) ADRB1HTR6HTR7HTR3EHTR3B
SCHEMBL16149623 0.79 ADRB1 (0.60) ADRB1HTR6HTR7HTR3EHTR3B
SCHEMBL7830324 0.79 MAPK1 (0.66) ADRB1MAPK1HTR6HTR7HTR3E
SCHEMBL31399311 0.79 ADRB1 (0.60) ADRB1HTR6HTR7HTR3EHTR3B
SCHEMBL409069 0.79 ADRB1 (0.86) ADRB1HTR6HTR7HTR3EHTR3B

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
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-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
US-20150329497-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 DUKE UNIVERSITY (US) 2015-11-19 US disclosed
WO-2014100501-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2014-06-26 WO 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 (1 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 ADRB1 105/4885MAPK1 1337/4885HTR6 269/4885

“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.