SCHEMBL4100902

SCHEMBL4100902

COc1c(C)cc(C2CCc3nccn3C2)cc1C

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 16/20 0.57
ADRA1D P25100 5/20 0.40
ADRA1B P35368 2/20 0.36
TACR1 P25103 1/20 0.35
KCNH2 Q12809 1/20 0.35
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
ADRA2A P08913 4/20 0.33
CYP19A1 P11511 1/20 0.31

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
SCHEMBL13254804 0.78 ADRA1A (0.32) ADRA1A
SCHEMBL4088031 0.78 ADRA1A (0.59) ADRA1AADRA1DADRA1BTACR1KCNH2
SCHEMBL11914203 0.74
SCHEMBL3660427 0.74 KDM4E (0.35) ADRA1ALMNAPKM
Hydrochloric Acid SCHEMBL4089608 0.73 KDM4E (0.35) ADRA1ALMNAPKM
SCHEMBL4093575 0.73 ADRA1A (0.63) ADRA1AADRA1DADRA1BTACR1KCNH2
SCHEMBL4088745 0.71 ADRA1A (0.57) ADRA1AADRA1DADRA1BTACR1KCNH2
SCHEMBL16058101 0.69 ADRA1A (0.50) ADRA1AADRA1DADRA1BTACR1KCNH2
SCHEMBL12256570 0.67 ADRA1A (0.54) ADRA1AADRA1DADRA1BTACR1KCNH2
SCHEMBL20690444 0.67 ADRA1A (0.54) ADRA1AADRA1DADRA1BTACR1KCNH2

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-8288424-B2 Substituted tetrahydroimidazopyridine compounds and the use thereof in the treatment of pain and other conditions GRUENENTHAL GMBH (DE) 2012-10-16 US disclosed
US-20090186902-A1 Substituted Tetrahydroimidazopyridine Compounds and the Use Thereof in the Treatment of Pain and Other Conditions GRUENENTHAL GMBH (DE) 2009-07-23 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-20090186902-A1 Substituted Tetrahydroimidazopyridine Compounds and the Use Thereof in the Treatment of Pain and Other Conditions HRH4, TRPV1, QDPR ADRA1A 517/4885ADRA1D 269/4885ADRA1B 591/4885

“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.