SCHEMBL1670591

SCHEMBL1670591

Nc1ccc2cccnc2c1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.58
CCR8 P51685 4/20 0.58
LMNA P02545 3/20 0.58
CCR5 P51681 3/20 0.58
MMP2 P08253 2/20 0.58
TSHR P16473 2/20 0.58
HSP90AA1 P07900 2/20 0.58
MAPT P10636 2/20 0.58
KDM4E B2RXH2 1/20 0.58
GMNN O75496 1/20 0.58
TP53 P04637 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
MMP9 P14780 1/20 0.58
ALOX15 P16050 1/20 0.58
NFKB1 P19838 1/20 0.58
MMP8 P22894 1/20 0.58
THPO P40225 1/20 0.58
MTOR P42345 1/20 0.58
HTT P42858 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
SCHEMBL9374479 0.81 LMNA (0.65) CCR1CCR8LMNACCR5MMP2
SCHEMBL29989596 0.81 LMNA (0.65) CCR1CCR8LMNACCR5MMP2
SCHEMBL3078533 0.78 LMNA (0.60) CCR1CCR8LMNACCR5MMP2
SCHEMBL2427441 0.78 LMNA (0.60) CCR1CCR8LMNACCR5MMP2
SCHEMBL4740838 0.77 CASP6 (0.51) CCR1CCR8LMNACCR5MMP2
Phenanthroline SCHEMBL30510785 0.76 CCR1 (0.80) CCR1CCR8LMNACCR5MMP2
Phenanthroline SCHEMBL20339964 0.76 CCR1 (0.80) CCR1CCR8LMNACCR5MMP2
SCHEMBL14842244 0.76 LMNA (0.58) CCR1CCR8LMNACCR5MMP2
SCHEMBL10911576 0.76 LMNA (0.63) CCR1CCR8LMNACCR5MMP2
SCHEMBL22028395 0.76 LMNA (0.58) CCR1CCR8LMNACCR5MMP2

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 8 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

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 CCR1 3277/4885CCR8 2912/4885LMNA 1209/4885
US-20120208821-A1 ALPHA ADRENERGIC RECEPTOR MODULATORS ADRB1, ADRB2, ADRA2C CCR1 3277/4885CCR8 2912/4885LMNA 1209/4885

“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.