SCHEMBL3698795

SCHEMBL3698795

COc1cccc([C@@H](C)N)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
ADRA2B P18089 1/20 0.42
PTGS1 P23219 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
PNMT P11086 1/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
ACHE P22303 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA1A P35348 1/20 0.41
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40

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
Hydrochloric Acid SCHEMBL22836784 0.98 ALDH1A1 (0.43) ALDH1A1ADRA2BPTGS1TDP1CYP2D6
Hydrochloric Acid SCHEMBL22836785 0.98 ALDH1A1 (0.43) ALDH1A1ADRA2BPTGS1TDP1CYP2D6
SCHEMBL84457 0.84 LPAR1 (0.44) ALDH1A1ADRA2BPTGS1TDP1CYP1A2
SCHEMBL29471011 0.81 CA1 (0.55) ALDH1A1ADRA2BPTGS1TDP1CYP2D6
SCHEMBL334556 0.81 CA1 (0.55) ALDH1A1ADRA2BPTGS1TDP1CYP2D6
SCHEMBL1257092 0.81 CA1 (0.55) ALDH1A1ADRA2BPTGS1TDP1CYP2D6
SCHEMBL21377269 0.81 CA1 (0.55) ALDH1A1ADRA2BPTGS1TDP1CYP2D6
SCHEMBL334379 0.81 CA1 (0.55) ALDH1A1ADRA2BPTGS1TDP1CYP2D6
SCHEMBL29705638 0.81 CA1 (0.55) ALDH1A1ADRA2BPTGS1TDP1CYP2D6
SCHEMBL23343773 0.81 CA1 (0.39) ALDH1A1ADRA2BPTGS1TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 EP disclosed
US-8765676-B2 Calcium sensing receptor modulating compounds and pharmaceutical use thereof LEO PHARMA A/S (DK) 2014-07-01 US disclosed
US-20120122784-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2012-05-17 US disclosed
WO-2010136037-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2010-12-02 WO 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-20120122784-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF CASR, SARAF, ORAI1 ALDH1A1 3353/4885ADRA2B 299/4885PTGS1 676/4885

“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.