SCHEMBL2883135

SCHEMBL2883135

Cc1ccccc1C1CCN(Cc2ccccc2)CC1CN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
SIGMAR1 Q99720 4/20 0.49
ACHE P22303 3/20 0.46
SCN4A P35499 2/20 0.46
BCHE P06276 4/20 0.43
BACE1 P56817 2/20 0.43
CCR5 P51681 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CCR3 P51677 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41

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
SCHEMBL2883137 1.00 HTR2A (0.50) HTR2AHTR2CHTR2BSIGMAR1ACHE
SCHEMBL1202818 0.88 HTR2A (0.54) HTR2AHTR2CHTR2BCCR5POLB
SCHEMBL2880558 0.87 OPRL1 (0.51) SIGMAR1ACHESCN4ABCHEBACE1
SCHEMBL2882388 0.85 SIGMAR1 (0.47) SIGMAR1ACHESCN4ABCHEBACE1
SCHEMBL12975924 0.83 FUCA1 (0.53) SIGMAR1ACHESCN4ABCHEBACE1
SCHEMBL2878305 0.82 SCN4A (0.52) SIGMAR1ACHESCN4ABCHEBACE1
SCHEMBL2878300 0.82 SCN4A (0.52) SIGMAR1ACHESCN4ABCHEBACE1
Hydrochloric Acid SCHEMBL2883130 0.82 SIGMAR1 (0.54) SIGMAR1ACHESCN4APOLBALDH1A1
SCHEMBL1373575 0.81 ACHE (0.57) SIGMAR1ACHEBCHEBACE1CCR5
SCHEMBL691150 0.81 ACHE (0.57) SIGMAR1ACHEBCHEBACE1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855294-B2 Cycloalkanopyridine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-21 US disclosed
US-20070191419-A1 Cycloalkanopyridine derivative MSD K.K. (JP) 2007-08-16 US disclosed
EP-1726590-A1 CYCLOALKANOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-29 EP 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-20070191419-A1 Cycloalkanopyridine derivative OPRL1, OPRK1, AVPR2 HTR2A 138/4885HTR2C 699/4885HTR2B 412/4885

“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.