SCHEMBL6748374

SCHEMBL6748374

C[C@@H](N)c1cccc2c1OCCO2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.40
PNMT P11086 1/20 0.40
MTNR1A P48039 5/20 0.40
ADRB1 P08588 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL28987862 1.00 ITGB2 (0.41) ITGB2ICAM1ITGALCYP1A2CYP3A4
SCHEMBL2401926 1.00 ITGB2 (0.41) ITGB2ICAM1ITGALCYP1A2CYP3A4
SCHEMBL22065074 1.00 ITGB2 (0.41) ITGB2ICAM1ITGALCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL3695794 0.98 LMNA (0.42) ITGB2ICAM1ITGALCYP1A2CYP3A4
SCHEMBL6748378 0.93 CYP1A2 (0.38) ITGB2ICAM1ITGALCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL3700542 0.91 ALDH1A1 (0.40) ITGB2ICAM1ITGALCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL3808347 0.91 ALDH1A1 (0.40) ITGB2ICAM1ITGALCYP1A2CYP3A4
SCHEMBL1253241 0.85 ALDH1A1 (0.46) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL13046425 0.85 ALDH1A1 (0.46) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL14120852 0.85 ALDH1A1 (0.46) CYP1A2CYP3A4CYP2D6NFKB1PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765676-B2 Calcium sensing receptor modulating compounds and pharmaceutical use thereof LEO PHARMA A/S (DK) 2014-07-01 US 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
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 ITGB2 4487/4885ICAM1 3487/4885ITGAL 4435/4885

“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.