SCHEMBL2991474

SCHEMBL2991474

Cc1cccc(CC2(N(C)C)CCC(NC(=O)c3ccccc3Nc3ccccc3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 2/20 0.45
▸ SSTR4 P31391 2/20 0.42
▸ SSTR1 P30872 1/20 0.42
▸ SIRT2 Q8IXJ6 2/20 0.41
▸ DCUN1D1 Q96GG9 1/20 0.41
▸ PTGS2 P35354 2/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ OPRK1 P41145 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MT-CO2 P00403 1/20 0.39
▸ OPRM1 P35372 1/20 0.38
▸ OPRL1 P41146 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
SCHEMBL2983436 0.90 DRD4 (0.44) DRD4SSTR4SSTR1SIRT2PTGS2
SCHEMBL2981687 0.79 CNR2 (0.49) —
SCHEMBL315551 0.77 MEN1 (0.55) SSTR4SSTR1OPRK1POLB
SCHEMBL206736 0.76 HPGD (0.48) SSTR4SSTR1OPRM1OPRL1
SCHEMBL4052851 0.76 KMT2A (0.48) SSTR4SSTR1OPRK1CTDSP1TDP1
SCHEMBL2981330 0.76 POLB (0.51) POLBOPRM1OPRL1
SCHEMBL2985323 0.76 KMT2A (0.50) SSTR4SSTR1OPRM1OPRL1
SCHEMBL316174 0.75 KCNH2 (0.47) DRD4SSTR4SSTR1OPRK1CTDSP1
SCHEMBL206665 0.75 SSTR4 (0.45) SSTR4SSTR1OPRM1OPRL1
SCHEMBL206157 0.74 NPC1 (0.46) SSTR4SSTR1DCUN1D1OPRM1OPRL1

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 DRD4 1043/4885SSTR4 1326/4885SSTR1 1281/4885

“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.

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