SCHEMBL19504080

SCHEMBL19504080

CC(C)Oc1cc(N2CCC2)cc[n+]1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHKA P35790 14/20 0.48
CHKB Q9Y259 1/20 0.39
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
AGXT P21549 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35

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 SCHEMBL19468881 0.99 CHKA (0.47) CHKACHKBBCHEACHEAGXT
SCHEMBL19504675 0.97 CHKA (0.51) CHKACHKBBCHEACHEAGXT
Hydrochloric Acid SCHEMBL19468696 0.96 CHKA (0.50) CHKACHKBBCHEACHEAGXT
SCHEMBL19504948 0.84 CHKA (0.49) CHKACHKBBCHEACHEAGXT
Hydrochloric Acid SCHEMBL19468961 0.82 CHKA (0.48) CHKACHKBBCHEACHEAGXT
SCHEMBL19504369 0.81 CHKA (0.52) CHKACHKBBCHEACHEAGXT
Hydrochloric Acid SCHEMBL19468769 0.80 CHKA (0.51) CHKACHKBBCHEACHEAGXT
SCHEMBL19497618 0.76 CHKA (0.55) CHKACHKBBCHEACHEAGXT
Hydrochloric Acid SCHEMBL19468743 0.75 CHKA (0.54) CHKACHKBBCHEACHEAGXT
Hydrochloric Acid SCHEMBL19468895 0.75 F2 (0.39) CHKAACHE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305861-A1 HETEROARYL COMPOUNDS COMPRISING NITROGEN AND USE THEREOF IMMUNOMET THERAPEUTICS, INC (US) 2017-10-26 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-20170305861-A1 HETEROARYL COMPOUNDS COMPRISING NITROGEN AND USE THEREOF MKI67, NUDC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CHKA 1724/4885CHKB 1480/4885BCHE 461/4885

“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.