SCHEMBL2989386

SCHEMBL2989386

COC(=O)CCCC(=O)NC1CCC(Cc2ccc(Cl)cc2)(N(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
HPGD P15428 3/20 0.45
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CCR2 P41597 2/20 0.40
MAPT P10636 2/20 0.40
ATF4 P18848 1/20 0.39
GAA P10253 1/20 0.39
EPHX1 P07099 1/20 0.38
SSTR1 P30872 1/20 0.38
SSTR4 P31391 1/20 0.38

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
SCHEMBL2976452 0.90 MEN1 (0.46) HPGDCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2982804 0.89 CYP1A2 (0.42) LMNAHPGDCYP1A2CYP3A4CYP2D6
SCHEMBL2985381 0.89 OPRM1 (0.48) HPGDCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2977995 0.88 THRB (0.48) HPGDSSTR1SSTR4
SCHEMBL206987 0.85 POLB (0.56) LMNAHPGDPOLBCYP1A2CYP3A4
SCHEMBL4054992 0.85 CCR2 (0.59) LMNAHPGDPOLBCCR2
SCHEMBL5159218 0.84 ATF4 (0.46) LMNAPOLBATF4EPHX1
SCHEMBL2986952 0.84 MEN1 (0.47) LMNACCR2ATF4
SCHEMBL206154 0.83 TSHR (0.46) LMNAHPGDPOLBCYP1A2CYP2C19
SCHEMBL2987319 0.82 MEN1 (0.47) SSTR1SSTR4

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 2 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

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 LMNA 1459/4885HPGD 162/4885POLB 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.