SCHEMBL10360894

SCHEMBL10360894

CC(C)N1CCC2CNCCC2C1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.31
GNAI3 P08754 3/20 0.30
GNAO1 P09471 3/20 0.30
GNAI1 P63096 3/20 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
SCHEMBL10360439 0.93 GNAI3 (0.33) HRH3GNAI3GNAO1GNAI1
SCHEMBL10176085 0.86 CHRNB2 (0.36) HRH3
SCHEMBL21210559 0.86 CHRNB2 (0.36) HRH3
SCHEMBL12209130 0.86 CHRNB2 (0.32) HRH3
SCHEMBL21786928 0.86 CHRNB2 (0.32) HRH3
SCHEMBL22317563 0.82 HRH3 (0.35) HRH3
SCHEMBL19934380 0.82 GNAI3 (0.36) GNAI3GNAO1GNAI1
SCHEMBL17694861 0.80 HRH3 (0.33) HRH3GNAI3GNAO1GNAI1
SCHEMBL17694859 0.80 CCR5 (0.36) HRH3
SCHEMBL3996073 0.78 GNAI3 (0.42) HRH3GNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796701-B2 Kinase inhibitor and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-10-24 US disclosed
US-8993535-B2 Modulators of cell cycle checkpoints and their use in combination with checkpoint kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-31 US disclosed
US-20120184505-A1 MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS MERCK SHARP & DOHME LLC 2012-07-19 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-20120184505-A1 MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS CDC25C, CDC25A, CDC25B HRH3 3532/4885GNAI3 1970/4885GNAO1 2976/4885

“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.