SCHEMBL2989313

SCHEMBL2989313

O=C(CSc1ccc(C(F)(F)F)cn1)NC1CCC(c2ccccc2)(N2CCOCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.50
KMT2A Q03164 3/20 0.43
RXFP1 Q9HBX9 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
SIGMAR1 Q99720 3/20 0.38
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
S100A4 P26447 1/20 0.38
CCR2 P41597 1/20 0.37

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
SCHEMBL2985810 0.92 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2ARXFP1HPGD
SCHEMBL2985781 0.76 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2ARXFP1HPGD
SCHEMBL2978646 0.72 ALDH1A1 (0.48) ALDH1A1KDM4EKMT2ARXFP1HPGD
SCHEMBL4033600 0.70 CCR3 (0.56) KMT2AMEN1SIGMAR1CCR2
SCHEMBL2983520 0.69 ALDH1A1 (0.45) ALDH1A1KDM4EKMT2AHPGDMEN1
SCHEMBL2977579 0.69 ALDH1A1 (0.45) ALDH1A1KDM4EKMT2ARXFP1HPGD
SCHEMBL2985682 0.69 GLA (0.41) KMT2A
SCHEMBL4052895 0.68 CCR2 (0.46) ALDH1A1KMT2AMAPTSIGMAR1CCR2
SCHEMBL4032772 0.65 ALDH1A1 (0.67) ALDH1A1KDM4EKMT2ARXFP1HPGD
SCHEMBL6209437 0.65 LIPE (0.55) ALDH1A1KDM4EKMT2AHPGDMAPT

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-7786328-B2 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2010-08-31 US claimed
US-20070281954-A1 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-12-06 US claimed
US-7786328-B2 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2010-08-31 US disclosed
US-20070281954-A1 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-12-06 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-20070281954-A1 Cyclohexyl-1,4-diamine compounds DPYD, PKD1, AOC1 ALDH1A1 207/4885KDM4E 1010/4885KMT2A 3786/4885

“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.