SCHEMBL13698476

SCHEMBL13698476

CC1CCCC(N2CCN(c3ccccc3F)CC2)C1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.70
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.46

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
SCHEMBL13698473 0.82 MEN1 (0.53) ALDH1A1SMN1; SMN2KMT2APOLBMEN1
SCHEMBL13698464 0.82 ABCB1 (0.62) ALDH1A1SMN1; SMN2KMT2APOLBMEN1
SCHEMBL12865073 0.78 OPRM1 (0.52) ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL5460658 0.75 GAA (0.62) ALDH1A1TSHRSMN1; SMN2KMT2APOLB
SCHEMBL14355430 0.74 ALDH1A1 (0.54) ALDH1A1TSHRUSP2
SCHEMBL13468008 0.74 L3MBTL3 (0.59) KMT2AMEN1
SCHEMBL13698468 0.74 ALDH1A1 (0.57) ALDH1A1TSHRSMN1; SMN2KMT2APOLB
SCHEMBL13698472 0.73 HSD17B10 (0.51) ALDH1A1TSHRSMN1; SMN2KMT2APOLB
SCHEMBL20756486 0.73 HTT (0.55) ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL14768684 0.72 KDM4E (0.51) ALDH1A1TSHRSMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239873-A1 Phenyl-piperazine derivatives as modulators of muscarinic receptors BLANCO MIGUEL GARCIA-GUZMAN 2009-09-24 US disclosed
US-20090239873-A1 Phenyl-piperazine derivatives as modulators of muscarinic receptors BLANCO MIGUEL GARCIA-GUZMAN 2009-09-24 US disclosed
US-7563795-B2 Phenyl-piperazine derivatives as modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-07-21 US disclosed
US-7563795-B2 Phenyl-piperazine derivatives as modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-07-21 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-20090239873-A1 Phenyl-piperazine derivatives as modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 ALDH1A1 2270/4885TSHR 98/4885SMN1; SMN2 4374/4885

“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.