SCHEMBL3551935

SCHEMBL3551935

CN(Cc1ccccc1)C(=O)C1CCN(c2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.68
MMP2 P08253 1/20 0.58
MMP13 P45452 1/20 0.58
CHRM4 P08173 2/20 0.55
RORC P51449 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 2/20 0.52
PKM P14618 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
NOTUM Q6P988 1/20 0.50
KDM4E B2RXH2 2/20 0.49

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
SCHEMBL15808590 0.86 CHRM4 (0.58) POLBMMP2MMP13CHRM4RORC
SCHEMBL8916001 0.86 POLB (0.71) POLBTSHRHTTPKMSMN1; SMN2
SCHEMBL9081654 0.86 CYP46A1 (0.59) POLBMMP2MMP13CHRM4RORC
SCHEMBL5790489 0.85 POLB (0.69) POLBTSHRHTTPKMSMN1; SMN2
SCHEMBL14626221 0.83 POLB (0.68) POLBRXFP1TSHRHTTPKM
SCHEMBL14067414 0.83 POLB (0.68) POLBTSHRHTTPKMSMN1; SMN2
SCHEMBL14590551 0.83 POLB (0.68) POLBTSHRHTTPKMSMN1; SMN2
SCHEMBL24636855 0.82 POLB (0.66) POLBTSHRHTTPKMSMN1; SMN2
SCHEMBL4889125 0.82 NOTUM (0.58) CHRM4RORCKMT2ANOTUM
SCHEMBL1190641 0.81 POLB (0.61) POLBTSHRHTTPKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US disclosed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 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 (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-20070043081-A1 Novel pyridine derivatives P2RY4, P2RX6, P2RX4 POLB 4709/4885MMP2 4630/4885MMP13 4627/4885

“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.