SCHEMBL1672785

SCHEMBL1672785

N=C1NCCN1c1ccc2c(c1)NC(=O)CO2

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
NR3C2 P08235 10/20 0.52
MMP12 P39900 1/20 0.49
DRD4 P21917 5/20 0.46
DRD2 P14416 4/20 0.46
DRD3 P35462 3/20 0.46
PARP1 P09874 1/20 0.46
NR3C1 P04150 1/20 0.46
MAPT P10636 2/20 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
SCHEMBL1670561 0.90 DRD4 (0.47) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL8302741 0.78 TP53 (0.46) ALDH1A1KMT2ANR3C2MMP12DRD4
SCHEMBL8306454 0.78 MMP12 (0.38) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL8303991 0.78 MAPT (0.48) KMT2ANR3C2MMP12DRD4DRD2
SCHEMBL8301735 0.78 MMP12 (0.38) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL30405408 0.77 ALDH1A1 (0.60) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
Bromide SCHEMBL8305153 0.77 MAPT (0.37) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL5213064 0.76 NR3C2 (0.62) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL8307617 0.76 PARP1 (0.45) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL8303332 0.76 PARP1 (0.45) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3584237-B1 ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN INC (US) 2020-12-09 EP disclosed
EP-2486009-B1 2H-PYRROL-5-AMINE DERIVATIVES AS ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN INC (US) 2019-08-21 EP disclosed
US-9522150-B2 Alpha adrenergic receptor modulators ALLERGAN, INC. (US) 2016-12-20 US disclosed
US-20150209351-A1 Alpha Adrenergic Receptor Modulators ALLERGAN, INC. 2015-07-30 US disclosed
US-9040532-B2 Alpha adrenergic receptor modulators ALLERGAN, INC. (US) 2015-05-26 US disclosed
US-20120208821-A1 ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN, INC (US) 2012-08-16 US disclosed
EP-2486009-A1 2H-PYRROL-5-AMINE DERIVATIVES AS ALPHA ADRENERGIC RECEPTOR MODULATORS Allergan, Inc. (US) 2012-08-15 EP disclosed
WO-2011044229-A1 2H-PYRROL-5-AMINE DERIVATIVES AS ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN, INC. (US) 2011-04-14 WO disclosed
EP-0548254-B1 6- OR 7-(IMIDAZOLIDIN-2-YLIDENEAMINO)-1,4-BENZOXAZINES AS ALPHA ADRENERGIC AGENTS ALLERGAN INC (US) 1999-06-02 EP disclosed
EP-0548254-A1 6- or 7- (2-IMINO-2-IMIDAZOLIDINE)-1,4-BENZOXAZINES AS ALPHA ADRENERGIC AGENTS ALLERGAN, INC. (US) 1993-06-30 EP disclosed
WO-1992004345-A1 6- or 7- (2-IMINO-2-IMIDAZOLIDINE)-1,4-BENZOXAZINES AS ALPHA ADRENERGIC AGENTS ALLERGAN, INC. (US) 1992-03-19 WO disclosed
US-5091528-A Antiglaucoma, antidiarrhea agents, diuretics, vasoconstrictors ALLERGAN, INC. (US) 1992-02-25 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 (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-20150209351-A1 Alpha Adrenergic Receptor Modulators ADRB1, ADRB2, ADRA2C ALDH1A1 497/4885KMT2A 3759/4885SMN1; SMN2 2878/4885
US-20120208821-A1 ALPHA ADRENERGIC RECEPTOR MODULATORS ADRB1, ADRB2, ADRA2C ALDH1A1 497/4885KMT2A 3759/4885SMN1; SMN2 2878/4885

“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.