SCHEMBL3866505

SCHEMBL3866505

COC1CCN(Cc2ccc(I)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.52
▸ OPRM1 P35372 1/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ HRH3 Q9Y5N1 5/20 0.49
▸ HTR2A P28223 2/20 0.48
▸ SIGMAR1 Q99720 4/20 0.47
▸ ACHE P22303 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ TMEM97 Q5BJF2 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ DRD1 P21728 1/20 0.44
▸ DRD4 P21917 1/20 0.44
▸ DRD3 P35462 1/20 0.44

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
SCHEMBL12082512 0.85 ALDH1A1 (0.56) LTA4HOPRM1OPRK1HRH3ACHE
SCHEMBL791901 0.85 MEN1 (0.55) LTA4HOPRM1OPRK1HRH3SIGMAR1
SCHEMBL3158273 0.83 LMNA (0.57) LTA4HOPRM1OPRK1HRH3SIGMAR1
SCHEMBL1428200 0.83 KDM4E (0.53) LTA4HOPRM1OPRK1HRH3SIGMAR1
SCHEMBL28375594 0.83 LTA4H (0.52) LTA4HOPRM1OPRK1HRH3ACHE
SCHEMBL27891330 0.83 SIGMAR1 (0.63) LTA4HOPRM1SIGMAR1ACHE
SCHEMBL8096431 0.83 ACHE (0.66) LTA4HOPRM1OPRK1HRH3SIGMAR1
SCHEMBL3861163 0.81 HRH3 (0.73) HRH3HTR2ASIGMAR1ACHECYP1A2
SCHEMBL2237928 0.81 NCF1 (0.63) LTA4HOPRM1OPRK1HRH3ACHE
SCHEMBL12449546 0.81 TEAD1 (0.54) LTA4HOPRM1OPRK1HRH3HTR2A

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-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 — — US disclosed
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 — — 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-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MC4R, MCHR2 LTA4H 2727/4885OPRM1 27/4885OPRK1 42/4885

“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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