SCHEMBL4211278

SCHEMBL4211278

NC(=Nc1ccccc1)N1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.47
HTR3E A5X5Y0 3/20 0.45
HTR3B O95264 3/20 0.45
HTR3A P46098 3/20 0.45
HTR3D Q70Z44 3/20 0.45
HTR3C Q8WXA8 3/20 0.45
SLC22A2 O15244 1/20 0.45
SLC22A1 O15245 1/20 0.45
SLC22A3 O75751 1/20 0.45
PLAU P00749 1/20 0.45
NOS1 P29475 3/20 0.44
NOS3 P29474 2/20 0.44
POLB P06746 1/20 0.42
ADRB1 P08588 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 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
SCHEMBL8518311 0.83 SIGMAR1 (0.54) SIGMAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL8391999 0.83 SIGMAR1 (0.50) SIGMAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL4207962 0.83 HTR3E (0.48) SIGMAR1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL11483916 0.81 SIGMAR1 (0.53) SIGMAR1HTR3EHTR3BHTR3AHTR3D
Iodide SCHEMBL10827372 0.81 SIGMAR1 (0.53) SIGMAR1HTR3EHTR3BHTR3AHTR3D
Iodide SCHEMBL10827362 0.80 SIGMAR1 (0.55) SIGMAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL9520387 0.79 POLB (0.50) SIGMAR1HTR3EHTR3BHTR3AHTR3D
Iodide SCHEMBL11164089 0.77 POLB (0.49) SIGMAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL10785309 0.77 TAAR1 (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
Iodide SCHEMBL11164087 0.77 POLB (0.49) SIGMAR1HTR3EHTR3BHTR3AHTR3D

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
US-8507672-B2 Substituted pyrrolo[2,3-d]pyrimidines as LIM kinase 2 inhibitors LEXICON PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-20090042893-A1 KINASE INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2009-02-12 US disclosed
US-20040132115-A1 Method for screening compounds for alpha1B adrenergic receptor antagonist and analgesic activity FORD ANTHONY P D W (US) 2004-07-08 US disclosed
US-6733982-B1 FOR IDENTIFICATION OF ASSOCIATED LIGAND; SELECTIVE APLHA-1B-ADRENERGIC RECEPTOR ANTAGONISTS ARE USEFUL FOR PAIN RELIEF SYNTEX (U.S.A.) LLC 2004-05-11 US disclosed
US-6355641-B1 HYPOTENSIVE AGENTS AND WOUND HEALING AGENTS SYNTEX (U.S.A.) LLC 2002-03-12 US disclosed
WO-2000055143-A1 OXAZOLONE DERIVATIVES AND THEIR USE AS ALPHA-1 ADRENORECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2000-09-21 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-20090042893-A1 KINASE INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LIMK2, LIMK1, TNK2 SIGMAR1 3077/4885HTR3E 3020/4885HTR3B 3184/4885

“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.