SCHEMBL13698472

SCHEMBL13698472

CCC1CCC(N2CCN(c3ccccc3F)CC2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
GLA P06280 2/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.47
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
ABCB1 P08183 1/20 0.44

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
SCHEMBL24843808 0.85 HSD17B10 (0.55) HSD17B10GLAMEN1KMT2ALMNA
SCHEMBL3973599 0.84 KMT2A (0.50) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL13698473 0.84 MEN1 (0.53) HSD17B10GLAMEN1KMT2ALMNA
SCHEMBL13698464 0.80 ABCB1 (0.62) GLAMEN1KMT2ALMNAKDM4E
SCHEMBL14768684 0.77 KDM4E (0.51) HSD17B10GLAMEN1KMT2ALMNA
SCHEMBL25046203 0.77 KMT2A (0.65) MEN1KMT2ALMNAALDH1A1TDP1
SCHEMBL13468008 0.75 L3MBTL3 (0.59) GLAMEN1KMT2ALMNAKDM4E
SCHEMBL24843750 0.75 HSD17B10 (0.50) HSD17B10GLAMEN1KMT2ALMNA
SCHEMBL10264596 0.74 KDM4E (0.59) HSD17B10MEN1KMT2ALMNAKDM4E
SCHEMBL14761464 0.74 HTR1A (0.53) MEN1KMT2ALMNAKDM4EALDH1A1

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 HSD17B10 3732/4885GLA 4397/4885MEN1 3939/4885

“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.