SCHEMBL1989889

SCHEMBL1989889

CN(C)[C@H]1CC[C@@H](CO)CC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.34
ESR2 Q92731 6/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
L3MBTL3 Q96JM7 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
SPHK1 Q9NYA1 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
SCHEMBL10325573 1.00 ESR1 (0.34) ESR1ESR2CYP3A4CYP2C9L3MBTL3
SCHEMBL1989890 1.00 ESR1 (0.34) ESR1ESR2CYP3A4CYP2C9L3MBTL3
SCHEMBL22967522 0.85 EPHX2 (0.31)
SCHEMBL2130091 0.85 EPHX2 (0.31)
SCHEMBL14755102 0.78 NR1H2 (0.31)
SCHEMBL152273 0.78 TDP1 (0.32) SPHK1
SCHEMBL15177100 0.78 ESR1 (0.37) ESR1ESR2CYP3A4CYP2C9CYP2D6
Methyl Alcohol SCHEMBL28141572 0.76
SCHEMBL1316560 0.76 ESR2 (0.46) ESR1ESR2CYP3A4CYP2C9CYP2D6
SCHEMBL2267415 0.76 ESR2 (0.46) ESR1ESR2CYP3A4CYP2C9CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3919492-A1 PYRIMIDINYL GROUP-CONTAINING TRICYCLIC COMPOUND SERVING AS C-MET INHIBITOR Medshine Discovery Inc. (CN) 2021-12-08 EP disclosed
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO ESR1 2101/4885ESR2 2104/4885CYP3A4 19/4885

“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.