SCHEMBL13705103

SCHEMBL13705103

c1ccc(CN2CCN[C@H](CCOCC3CC3)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.56
SIGMAR1 Q99720 6/20 0.53
HTR2A P28223 4/20 0.53
HTR2C P28335 4/20 0.53
HTR2B P41595 4/20 0.53
DRD2 P14416 2/20 0.53
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
Hydrochloric Acid SCHEMBL4291164 0.99 LTA4H (0.55) LTA4HSIGMAR1HTR2AHTR2CHTR2B
SCHEMBL3492112 0.84 LTA4H (0.56) LTA4HSIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL8113187 0.84 LTA4H (0.55) LTA4HSIGMAR1HTR2AHTR2CHTR2B
SCHEMBL24803467 0.82 LTA4H (0.57) LTA4HSIGMAR1DRD2CYP1A2CYP3A4
SCHEMBL13308369 0.82 LTA4H (0.57) LTA4HSIGMAR1DRD2CYP1A2CYP3A4
SCHEMBL3495379 0.79 LTA4H (0.59) LTA4HSIGMAR1DRD2CYP1A2CYP3A4
SCHEMBL1875436 0.78 LTA4H (0.65) LTA4HSIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL1875435 0.78 LTA4H (0.65) LTA4HSIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL2873528 0.78 LTA4H (0.65) LTA4HSIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL10219060 0.78 LTA4H (0.57) LTA4HSIGMAR1CYP1A2CYP3A4CYP2D6

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-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 (2 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT LTA4H 1197/4885SIGMAR1 3163/4885HTR2A 4298/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT LTA4H 1197/4885SIGMAR1 3163/4885HTR2A 4298/4885

“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.