SCHEMBL18976595

SCHEMBL18976595

CCN1CC[C@]2(CNCCC2(F)F)C1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54

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
SCHEMBL21704583 1.00 TSHR (0.54) TSHR
SCHEMBL21701369 0.83 S1PR1 (0.43) TSHR
SCHEMBL24373750 0.81 TSHR (0.46) TSHR
SCHEMBL18968284 0.77 SOS1 (0.32) TSHR
SCHEMBL29333554 0.77 TSHR (0.46) TSHR
SCHEMBL18968108 0.77 SOS1 (0.32) TSHR
SCHEMBL18968853 0.77 SOS1 (0.32) TSHR
SCHEMBL22046840 0.76 TSHR (0.39) TSHR
SCHEMBL18976592 0.75 TSHR (0.33) TSHR
SCHEMBL18968105 0.75 TSHR (0.33) TSHR

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-9963448-B2 Bicyclic inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2018-05-08 US disclosed
US-20170166565-A1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. 2017-06-15 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-20170166565-A1 BICYCLIC INHIBITORS OF PAD4 PADI4, PADI1, PADI2 TSHR 4094/4885

“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.