SCHEMBL5514059

SCHEMBL5514059

N#Cc1c(Cl)cccc1OC[C@H]1CO1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ GLA P06280 1/20 0.51
▸ TP53 P04637 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ MRGPRX4 Q96LA9 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.44
▸ CASR P41180 6/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ TLR8 Q9NR97 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GRM2 Q14416 1/20 0.39
▸ GAA P10253 1/20 0.37
▸ ADRB2 P07550 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ SLC6A2 P23975 2/20 0.37

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
SCHEMBL14417549 1.00 ALDH1A1 (0.51) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL5514057 1.00 ALDH1A1 (0.51) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL11868154 0.83 ALDH1A1 (0.66) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL5516310 0.82 ALDH1A1 (0.55) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL14155278 0.82 ALDH1A1 (0.51) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL7500201 0.82 SLC6A4 (0.58) CYP3A4ADRB2SLC6A2SLC6A4SLC6A3
SCHEMBL5513145 0.81 ALDH1A1 (0.57) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL5524768 0.81 ALDH1A1 (0.57) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL29847902 0.81 ALDH1A1 (0.57) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL2335627 0.81 ALDH1A1 (0.57) ALDH1A1GLATP53CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249702-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC 2007-10-25 — — US disclosed
US-7265145-B2 Substituted piperidines and pyrrolidines as calcium sensing receptor modulators and method BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-04 — — 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-20020052509-A1 Calcilytic compounds and method of use SMITHKLINE BEECHAM CORPORATION 2002-05-02 — — US disclosed
EP-1069901-A4 CALCILYTIC COMPOUNDS AND METHOD OF USE SMITHKLINE BEECHAM CORP (US) 2001-06-13 — — EP disclosed
EP-1069901-A1 CALCILYTIC COMPOUNDS AND METHOD OF USE SMITHKLINE BEECHAM CORPORATION (US) 2001-01-24 — — EP disclosed
US-6022894-A Method of using calcilytic compounds NPS PHARMACEUTICALS, INC. (US) 2000-02-08 — — US disclosed
WO-1999051241-A1 CALCILYTIC COMPOUNDS AND METHOD OF USE SMITHKLINE BEECHAM CORPORATION (US) 1999-10-14 — — WO 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 (4 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 285/4885TP53 4129/4885
US-20070249702-A1 CALCILYTIC COMPOUNDS CALCR, CASR, ORAI1 ALDH1A1 4327/4885GLA 285/4885TP53 4129/4885
US-20020099220-A1 Calcilytic compounds CALCR, CASR, CALCRL ALDH1A1 4285/4885GLA 329/4885TP53 4380/4885
US-20020052509-A1 Calcilytic compounds and method of use SOST, CALCR, PTH1R ALDH1A1 3299/4885GLA 100/4885TP53 3537/4885

“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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