SCHEMBL13698454

SCHEMBL13698454

Cc1cccc(N2CCN(CC3CCCCC3)CC2)c1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.63
LMNA P02545 2/20 0.63
MAPK1 P28482 2/20 0.63
NPC1 O15118 1/20 0.63
ALOX15 P16050 1/20 0.63
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HPGD P15428 2/20 0.55
GAA P10253 1/20 0.55
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 2/20 0.53
RAB9A P51151 1/20 0.53
OPRM1 P35372 1/20 0.53
OPRK1 P41145 1/20 0.53
OPRL1 P41146 1/20 0.53
ABCB1 P08183 1/20 0.52
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50

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
SCHEMBL24719040 0.86 TSHR (0.61) TSHRLMNAMAPK1NPC1ALOX15
SCHEMBL22303252 0.85 HPGD (0.51) TSHRLMNAMAPK1NPC1ALOX15
SCHEMBL17257675 0.84 ADRB1 (0.52) TSHRLMNAMAPK1NPC1ALOX15
SCHEMBL22303231 0.82 TSHR (0.48) TSHRLMNAMAPK1NPC1ALOX15
SCHEMBL22302984 0.82 MEN1 (0.59) TSHRLMNAMAPK1NPC1ALOX15
SCHEMBL22302294 0.79 TSHR (0.53) TSHRLMNAMAPK1NPC1ALOX15
SCHEMBL22302944 0.78 HPGD (0.49) TSHRLMNAMAPK1NPC1ALOX15
SCHEMBL11067105 0.78 ADRB1 (0.74) TSHRLMNAMAPK1ALOX15MEN1
SCHEMBL13698439 0.77 SLC18A3 (0.56) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL13087951 0.77 GAA (0.65) TSHRLMNAMAPK1ALOX15MEN1

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 TSHR 98/4885LMNA 4305/4885MAPK1 2519/4885

“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.