SCHEMBL5520887

SCHEMBL5520887

COC(CBr)COc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.50
▸ TSHR P16473 2/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ MAOA P21397 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ SCN4A P35499 2/20 0.44
▸ MTNR1A P48039 3/20 0.41
▸ MTNR1B P49286 3/20 0.41
▸ CYP2D6 P10635 3/20 0.41
▸ ADRB2 P07550 1/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ ADRB3 P13945 1/20 0.41
▸ KDM1A O60341 1/20 0.40
▸ KCNA3 P22001 1/20 0.40
▸ HIF1A Q16665 1/20 0.39
▸ POLB P06746 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
SCHEMBL17171595 0.88 LMNA (0.57) LMNATSHRCYP2C9MAOAPTGS1
SCHEMBL10902605 0.85 LMNA (0.47) LMNATSHRCYP2C9MAOAPTGS1
SCHEMBL14587067 0.82 LMNA (0.52) LMNATSHRCYP2C9MAOAPTGS1
SCHEMBL17034727 0.82 CYP2C9 (0.55) LMNATSHRCYP2C9MAOAPTGS1
SCHEMBL10902426 0.81 KCNA3 (0.47) KCNA3
SCHEMBL11664091 0.81 LMNA (0.50) LMNATSHRCYP2C9MAOAPTGS1
SCHEMBL19944683 0.81 LTA4H (0.57) LMNATSHRCYP2C9MAOAPTGS1
SCHEMBL7387280 0.81 LMNA (0.50) LMNATSHRCYP2C9MAOAPTGS1
SCHEMBL3081620 0.81 TSHR (0.73) LMNATSHRCYP2C9MAOAPTGS1
SCHEMBL3081619 0.81 LMNA (0.50) LMNATSHRCYP2C9MAOAPTGS1

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 LMNA 2189/4885TSHR 1016/4885CYP2C9 3274/4885
US-20070249702-A1 CALCILYTIC COMPOUNDS CALCR, CASR, ORAI1 LMNA 2189/4885TSHR 1016/4885CYP2C9 3274/4885
US-20020099220-A1 Calcilytic compounds CALCR, CASR, CALCRL LMNA 2566/4885TSHR 953/4885CYP2C9 3667/4885

“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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