SCHEMBL2987472

SCHEMBL2987472

COCC(=O)NC1CCC(Cc2ccccc2)(N2CCCCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.48
EPHX2 P34913 1/20 0.45
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
OPRM1 P35372 1/20 0.42
OPRL1 P41146 1/20 0.42
SIGMAR1 Q99720 2/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 1/20 0.41
LTA4H P09960 1/20 0.41

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
SCHEMBL2983320 0.88 POLB (0.59) POLBALDH1A1HPGDRAB9AMEN1
SCHEMBL2985459 0.88 POLB (0.59) POLBALDH1A1HPGDRAB9AMEN1
SCHEMBL2982759 0.84 ATF4 (0.57) POLBALDH1A1RAB9AMEN1KMT2A
SCHEMBL2985500 0.84 ATF4 (0.57) POLBALDH1A1RAB9AMEN1KMT2A
SCHEMBL2987821 0.83 ATF4 (0.58) POLBALDH1A1RAB9AMEN1KMT2A
SCHEMBL4052907 0.82 KMT2A (0.51) EPHX2ALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL2972836 0.81 MEN1 (0.50) EPHX2POLBHPGDRAB9AMEN1
SCHEMBL2989191 0.79 TSHR (0.49) NPSR1POLBALDH1A1HPGDRAB9A
SCHEMBL2985178 0.79 SSTR4 (0.39) EPHX2L3MBTL1HPGDRAB9AMEN1
SCHEMBL2989357 0.79 TSHR (0.46) POLBALDH1A1HPGDMEN1KMT2A

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 NPSR1 1311/4885EPHX2 1094/4885POLB 1844/4885

“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.