SCHEMBL6400

SCHEMBL6400

Cc1cccc(C)c1NC1=NCCC1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.87
LMNA P02545 3/20 0.54
RAB9A P51151 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
TSHR P16473 1/20 0.54
MAPT P10636 2/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
KMT2A Q03164 1/20 0.49
HTR1D P28221 1/20 0.49
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.43
ALOX15 P16050 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL10854867 0.89 POLB (0.69) POLBLMNARAB9ACYP3A4CYP2D6
SCHEMBL5992 0.82 POLB (0.60) POLBLMNAMAPTKMT2AADRA2A
SCHEMBL6056 0.81 POLB (0.59) POLBLMNAMAPTKMT2AADRA2A
SCHEMBL6021 0.80 ADRA2A (0.65) POLBLMNARAB9AMAPTKMT2A
SCHEMBL1670264 0.79 POLB (0.57) POLBLMNARAB9ACYP3A4CYP2D6
SCHEMBL10883487 0.79 POLB (0.57) POLBLMNAMAPTKMT2AADRA2A
SCHEMBL6475 0.78 ADRA2A (0.62) POLBLMNAMAPTKMT2AADRA2A
SCHEMBL5586 0.78 ADRA2A (0.67) POLBLMNARAB9ACYP2D6MAPT
Hydrochloric Acid SCHEMBL10887199 0.77 POLB (0.55) POLBLMNAMAPTBLMPMP22
SCHEMBL6104 0.76 POLB (0.54) POLBLMNARAB9AMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238615-A1 Alpha adrenergic receptor modulators ALLERGAN, INC. (US) 2012-09-20 US claimed
EP-2491017-A1 ALPHA ADRENERGIC RECEPTOR MODULATORS Allergan, Inc. (US) 2012-08-29 EP claimed
WO-2011050030-A1 ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN, INC. (US) 2011-04-28 WO claimed
EP-2491017-B1 ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN INC (US) 2014-08-27 EP disclosed
US-20120238615-A1 Alpha adrenergic receptor modulators ALLERGAN, INC. (US) 2012-09-20 US disclosed
EP-2491017-A1 ALPHA ADRENERGIC RECEPTOR MODULATORS Allergan, Inc. (US) 2012-08-29 EP disclosed
WO-2011050030-A1 ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN, INC. (US) 2011-04-28 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-20120238615-A1 Alpha adrenergic receptor modulators ADRA2C, ADRB2, ADRB1 POLB 2372/4885LMNA 1581/4885RAB9A 1861/4885

“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.