SCHEMBL14165239

SCHEMBL14165239

C[C@H]1C[C@H](C)N(C(=O)C(C)(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.35
TSHR P16473 2/20 0.33
MAPT P10636 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
GAA P10253 2/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL18757310 1.00 RIPK1 (0.35) RIPK1TSHRMAPTPDK1PDK2
SCHEMBL673556 0.84 TSHR (0.44) RIPK1TSHRMAPTPDK1PDK2
SCHEMBL20221847 0.80 DPP4 (0.38) RIPK1PDK1PDK2PDK3PDK4
SCHEMBL18701586 0.80 RIPK1 (0.44) RIPK1MAPTLMNA
SCHEMBL19075564 0.79 ATM (0.46) RIPK1LMNA
SCHEMBL19075572 0.79 ATM (0.46) RIPK1LMNA
SCHEMBL6629964 0.76 ATM (0.41) TSHRMAPTGAALMNAKDM4E
SCHEMBL20754267 0.76 ATM (0.41) TSHRMAPTGAALMNAKDM4E
SCHEMBL26053268 0.76 ATM (0.41) TSHRMAPTGAALMNAKDM4E
SCHEMBL13079209 0.75 NR1H2 (0.42) TSHRSMN1; SMN2

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-20080146546-A1 Bicyclic and Tricyclic Heteroaromatic Compounds NEUROGEN CORPORATION 2008-06-19 US disclosed
US-7326709-B2 Bicyclic and tricyclic heteroaromatic compounds NEUROGEN CORPORATION (US) 2008-02-05 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-20080146546-A1 Bicyclic and Tricyclic Heteroaromatic Compounds GABBR1, GABBR2, GABRA4 RIPK1 4716/4885TSHR 628/4885MAPT 1415/4885

“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.