SCHEMBL2378418

SCHEMBL2378418

NCCCCCc1c[nH]c2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 5/20 0.74
CYP3A4 P08684 2/20 0.74
CYP1A2 P05177 1/20 0.74
CYP2D6 P10635 1/20 0.74
CYP2A6 P11509 1/20 0.74
NFKB1 P19838 1/20 0.74
HTR1D P28221 1/20 0.74
HTR1B P28222 1/20 0.74
HTR2A P28223 1/20 0.74
HTR2C P28335 1/20 0.74
HTR7 P34969 1/20 0.74
CTSK P43235 1/20 0.74
HTR6 P50406 1/20 0.74
CYP2A13 Q16696 1/20 0.74
TAAR1 Q96RJ0 1/20 0.74
PMP22 Q01453 1/20 0.72
SSTR2 P30874 1/20 0.69
SSTR4 P31391 1/20 0.69
MC1R Q01726 1/20 0.60
SLC6A4 P31645 2/20 0.59

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
SCHEMBL2378528 1.00 MPO (0.74) MPOCYP3A4CYP1A2CYP2D6CYP2A6
SCHEMBL5991724 1.00 MPO (0.74) MPOCYP3A4CYP1A2CYP2D6CYP2A6
SCHEMBL1249795 0.98 MPO (0.77) MPOCYP3A4CYP1A2CYP2D6CYP2A6
SCHEMBL735189 0.93 MPO (0.79) MPOCYP3A4CYP1A2CYP2D6CYP2A6
SCHEMBL29532652 0.93 MPO (0.79) MPOCYP3A4CYP1A2CYP2D6CYP2A6
Hydrochloric Acid SCHEMBL21546034 0.91 PMP22 (0.80) MPOCYP3A4CYP1A2CYP2D6CYP2A6
SCHEMBL7889427 0.91 HTR2A (0.69) MPOCYP3A4CYP1A2CYP2D6CYP2A6
SCHEMBL7001306 0.91 HTR2A (0.69) MPOCYP3A4CYP1A2CYP2D6CYP2A6
SCHEMBL7004071 0.91 HTR2A (0.69) MPOCYP3A4CYP1A2CYP2D6CYP2A6
SCHEMBL7004146 0.89 HTR2A (0.71) MPOCYP3A4CYP1A2CYP2D6CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017630-B2 Cyclohexylacetic acid compounds GRUENENTHAL GMBH (DE) 2011-09-13 US disclosed
EP-1751093-B1 SUBSTITUTED CYCLOHEXYLACETIC ACID DERIVATIVES GRUENENTHAL GMBH (DE) 2010-10-06 EP disclosed
US-20070129347-A1 Cyclohexylacetic acid compounds GRUENENTHAL GMBH (DE) 2007-06-07 US disclosed
EP-1751093-A1 SUBSTITUTED CYCLOHEXYLACETIC ACID DERIVATIVES Grünenthal GmbH (DE) 2007-02-14 EP disclosed
WO-2005110976-A1 SUBSTITUTED CYCLOHEXYLACETIC ACID DERIVATIVES Grünenthal GmbH (DE) 2005-11-24 WO 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-20070129347-A1 Cyclohexylacetic acid compounds ACACA, HCAR2, PCCA MPO 3385/4885CYP3A4 409/4885CYP1A2 147/4885

“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.