SCHEMBL5516310

SCHEMBL5516310

COc1cccc(OCC2CO2)c1C#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.55
▸ GLA P06280 1/20 0.55
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ TSHR P16473 4/20 0.46
▸ TP53 P04637 3/20 0.46
▸ HIF1A Q16665 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ADRA2C P18825 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ PKM P14618 1/20 0.40
▸ DRD4 P21917 2/20 0.40
▸ HTR1A P08908 4/20 0.39
▸ ADRA1A P35348 3/20 0.39
▸ MAPT P10636 4/20 0.39
▸ HPGD P15428 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39

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
SCHEMBL11868154 0.86 ALDH1A1 (0.66) ALDH1A1GLANPC1RAB9ATSHR
SCHEMBL14155278 0.82 ALDH1A1 (0.51) ALDH1A1GLANPC1RAB9ATSHR
SCHEMBL14417549 0.82 ALDH1A1 (0.51) ALDH1A1GLANPC1RAB9ATSHR
SCHEMBL5514057 0.82 ALDH1A1 (0.51) ALDH1A1GLANPC1RAB9ATSHR
SCHEMBL5514059 0.82 ALDH1A1 (0.51) ALDH1A1GLANPC1RAB9ATSHR
SCHEMBL14421448 0.81 ALDH1A1 (0.50) ALDH1A1GLANPC1RAB9ATSHR
SCHEMBL7282918 0.80 ALDH1A1 (0.71) ALDH1A1GLATSHRTP53HIF1A
SCHEMBL3634571 0.80 ALDH1A1 (0.71) ALDH1A1GLATSHRTP53HIF1A
SCHEMBL29769262 0.80 ALDH1A1 (0.71) ALDH1A1GLATSHRTP53HIF1A
SCHEMBL93244 0.80 ALDH1A1 (0.71) ALDH1A1GLATSHRTP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249702-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC 2007-10-25 — — US disclosed
US-7202261-B2 Calcilytic compounds NPS PHARMACEUTICALS, INC. (US) 2007-04-10 — — US disclosed
EP-0901459-B1 CALCILYTIC COMPOUNDS NPS PHARMA INC (US) 2005-06-29 — — EP disclosed
US-20050032850-A1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2005-02-10 — — US disclosed
US-6818660-B2 FOR INHIBITING CALCIUM RECEPTOR ACTIVIT; TO STIMULATE SECRETION OF PARATHYROID HORMONE (PTH); FOR BONE FORMATION NPS PHARMACEUTICALS, INC. 2004-11-16 — — US disclosed
US-6521667-B1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2003-02-18 — — US disclosed
US-6432656-B1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2002-08-13 — — US disclosed
US-20020099220-A1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2002-07-25 — — US disclosed
US-6022894-A Method of using calcilytic compounds NPS PHARMACEUTICALS, INC. (US) 2000-02-08 — — US disclosed
EP-0901459-A1 CALCILYTIC COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1999-03-17 — — EP disclosed
WO-1997037967-A1 CALCILYTIC COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1997-10-16 — — 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 (3 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-20050032850-A1 Calcilytic compounds CALCR, CASR, ORAI1 ALDH1A1 4327/4885GLA 285/4885NPC1 1137/4885
US-20070249702-A1 CALCILYTIC COMPOUNDS CALCR, CASR, ORAI1 ALDH1A1 4327/4885GLA 285/4885NPC1 1137/4885
US-20020099220-A1 Calcilytic compounds CALCR, CASR, CALCRL ALDH1A1 4285/4885GLA 329/4885NPC1 1290/4885

“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.

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