SCHEMBL12240342

SCHEMBL12240342

Cc1ccc2c(c1)CNC[C@H](C)O2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.44
BRD4 O60885 1/20 0.44
NTRK1 P04629 1/20 0.40
TDP1 Q9NUW8 1/20 0.36
AKR1B1 P15121 1/20 0.36
HTR2C P28335 3/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2B P41595 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAOB P27338 3/20 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
SCHEMBL18322197 1.00 CREBBP (0.44) CREBBPBRD4NTRK1TDP1AKR1B1
SCHEMBL18322195 1.00 CREBBP (0.44) CREBBPBRD4NTRK1TDP1AKR1B1
SCHEMBL20297434 0.80 ALDH1A1 (0.38) CREBBPBRD4HTR2CHTR2AHTR2B
SCHEMBL18325487 0.80 ALDH1A1 (0.38) CREBBPBRD4HTR2CHTR2AHTR2B
SCHEMBL12264786 0.80 HTR2C (0.44) NTRK1TDP1HTR2CCHRNB2CHRNA4
SCHEMBL20255770 0.78 PNMT (0.46) NTRK1TDP1HTR2CCHRNB2CHRNA4
SCHEMBL18322005 0.77 OXTR (0.48) CREBBPBRD4NTRK1HTR2CHTR2A
SCHEMBL18322678 0.77 OXTR (0.48) CREBBPBRD4NTRK1HTR2CHTR2A
SCHEMBL18322019 0.77 OXTR (0.48) CREBBPBRD4NTRK1HTR2CHTR2A
SCHEMBL15667383 0.77 TDP1 (0.57) CREBBPBRD4TDP1AKR1B1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263569-A1 RYANODINE CHANNEL BINDERS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2011-10-27 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-20110263569-A1 RYANODINE CHANNEL BINDERS AND USES THEREOF RYR2, RYR1, CACNA1F CREBBP 824/4885BRD4 266/4885NTRK1 4006/4885

“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.