SCHEMBL13141302

SCHEMBL13141302

CC(C)(C)c1cn([C@H]2CC[C@H](C)CC2)nn1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.34
SMYD3 Q9H7B4 1/20 0.33
HRH4 Q9H3N8 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL18367661 0.93 RET (0.36) RETSMYD3HRH4HRH3GABRA2
SCHEMBL12203587 0.86 HRH4 (0.37) RETHRH4GABRA2GABRB2
SCHEMBL18161139 0.86 PSMB8 (0.35) RETSMYD3HRH4HRH3GABRA2
SCHEMBL19625281 0.84 HRH4 (0.39) RETHRH4GABRA2GABRB2
SCHEMBL18367634 0.83 DRD2 (0.33) RETSMYD3GABRA2GABRB2MEN1
SCHEMBL19589565 0.81 CHRNB2 (0.36) RETHRH4HRH3GABRA2GABRB2
SCHEMBL18367573 0.81 CNR2 (0.38) RETGABRA2GABRB2
SCHEMBL18367582 0.80 DRD2 (0.33) RETGABRA2GABRB2
SCHEMBL18367629 0.78 GSK3B (0.36) RETHRH3MEN1KMT2A
SCHEMBL18367602 0.78 DRD4 (0.40) HRH3KMT2A

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-8637561-B2 Linked diimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-01-28 US disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 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-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 RET 3585/4885SMYD3 2820/4885HRH4 2863/4885

“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.