SCHEMBL21100795

SCHEMBL21100795

CCC(C)(C)N1CCC2(CCN(C)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.34
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM3 P20309 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
SCHEMBL19226671 0.86 CYP3A4 (0.35) HIF1A
SCHEMBL24275617 0.85
SCHEMBL25001377 0.82 HIF1A (0.36) HIF1ATSHRMAPK1
SCHEMBL21214518 0.80 CYP3A4 (0.37) TSHR
SCHEMBL12188876 0.80 POLB (0.39) TSHR
SCHEMBL13050809 0.78 GRIN2D (0.41) HIF1ATSHRMAPK1CHRM2
SCHEMBL21038304 0.78 CYP11B1 (0.30)
SCHEMBL19226582 0.78 TSHR (0.37) TSHR
SCHEMBL22016879 0.77
SCHEMBL19255424 0.76 CYP3A4 (0.43) HIF1ATSHR

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-20210070743-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2021-03-11 US disclosed
US-10329282-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-06-25 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 (2 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-10329282-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof ROCK1, RHOA, ROCK2 HIF1A 3229/4885TSHR 4197/4885MAPK1 142/4885
US-20210070743-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIPK1, RIPK2, RIPK3 HIF1A 2526/4885TSHR 3807/4885MAPK1 245/4885

“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.