SCHEMBL2984696

SCHEMBL2984696

CCOCC(=O)NC1CCC(Cc2ccccc2F)(N(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
SIGMAR1 Q99720 4/20 0.40
HTT P42858 2/20 0.40
RECQL P46063 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2985707 0.87 ALDH1A1 (0.44) HPGDTSHRHSD17B10SIGMAR1OPRM1
SCHEMBL2985326 0.86 HPGD (0.50) HPGDTSHRHSD17B10SMN1; SMN2HTT
SCHEMBL2981361 0.83 ATF4 (0.57) HPGDSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL2974653 0.83 SIGMAR1 (0.42) HPGDSMN1; SMN2SIGMAR1HTTOPRM1
SCHEMBL2989227 0.81 BCHE (0.41) HPGDSMN1; SMN2SIGMAR1OPRM1OPRL1
SCHEMBL2982118 0.81 MCHR1 (0.50) HPGDSMN1; SMN2HTTRAB9A
SCHEMBL4050176 0.78 CCR2 (0.43) SIGMAR1OPRM1OPRL1
SCHEMBL4055346 0.78 ACKR3 (0.48) HPGDSIGMAR1OPRM1OPRL1ALDH1A1
SCHEMBL2987746 0.77 KMT2A (0.46) HPGDTSHRSMN1; SMN2SIGMAR1HTT
SCHEMBL2985108 0.77 OPRM1 (0.45) HPGDTSHRHSD17B10OPRM1OPRL1

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 HPGD 162/4885TSHR 3832/4885HSD17B10 1106/4885

“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.