SCHEMBL13891753

SCHEMBL13891753

CCc1ccnc(C(C)(C)CC)n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL327924 0.84 CYP1A2 (0.34) CYP1A2POLBHCRTR1HCRTR2
SCHEMBL31691992 0.81 IDH1 (0.33) CYP1A2POLBHCRTR1HCRTR2
SCHEMBL20890572 0.81 MAP4K1 (0.36) CYP1A2POLBHCRTR1HCRTR2
SCHEMBL13806057 0.78 ALOX15 (0.35) NPC1MAPTRAB9A
SCHEMBL8171795 0.78 IDH1 (0.42) CYP1A2POLB
SCHEMBL18857239 0.77 SYK (0.35) NPC1MAPTRAB9A
SCHEMBL22460209 0.77 TDP1 (0.35) NPC1MAPTRAB9A
SCHEMBL20428031 0.74 ADRB1 (0.37)
SCHEMBL896386 0.74 PARP1 (0.35) CYP1A2POLBHCRTR1HCRTR2
SCHEMBL18857412 0.73 HDAC8 (0.30)

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-20090099252-A1 NOVEL LAULIMALIDE ANALOGUES AS THERAPEUTIC AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-04-16 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-20090099252-A1 NOVEL LAULIMALIDE ANALOGUES AS THERAPEUTIC AGENTS TUBB6, TUBB1, TUBA1C CYP1A2 4837/4885POLB 2018/4885HCRTR1 4678/4885

“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.