SCHEMBL1437331

SCHEMBL1437331

CC(=O)c1cccc(Cc2ccccc2C)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 1/20 0.57
MAOB P27338 5/20 0.49
LMNA P02545 2/20 0.47
PTPN1 P18031 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
PARP1 P09874 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL2253024 0.85 IL4I1 (0.55) IL4I1MAOBLMNAALDH1A1KMT2A
SCHEMBL6950065 0.84 PTPN1 (0.54) IL4I1MAOBLMNAPTPN1ALDH1A1
SCHEMBL3335985 0.84 LMNA (0.59) IL4I1MAOBLMNAALDH1A1MEN1
SCHEMBL6190226 0.82 LMNA (0.69) IL4I1MAOBLMNAALDH1A1MEN1
SCHEMBL14541452 0.81 LMNA (0.67) MAOBLMNAALDH1A1HPGDKMT2A
SCHEMBL7665038 0.79 PTPN1 (0.74) PTPN1ALDH1A1HPGDMEN1KMT2A
SCHEMBL9660695 0.75 MAOB (0.58) IL4I1MAOBLMNAALDH1A1MEN1
SCHEMBL2087954 0.75 MAOB (0.71) MAOBNPC1RAB9A
SCHEMBL8986618 0.75 IL4I1 (0.55) IL4I1MAOBMAPT
SCHEMBL2094961 0.74 TAAR1 (0.48) CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0933354-B1 CALCIUM RECEPTOR-ACTIVE COMPOUNDS KYOWA HAKKO KIRIN CO LTD (JP) 2011-03-30 EP disclosed
US-7816408-B2 Calcium receptor active compounds NPS PHARMACEUTICALS, INC. (US) 2010-10-19 US disclosed
US-20090176993-A1 Calcium receptor active compounds NPS PHARMACEUTICALS, INC. 2009-07-09 US disclosed
US-6939895-B2 Calcium receptor-active compounds NPS PHARMACEUTICALS, INC. (US) 2005-09-06 US disclosed
US-6750255-B2 SUCH AS (R)-N-(1-(1'-NAPHTHYL)ETHYL)-2-(2',5'-DICHOROPHENYL THIO)ETHYLAMINE; FOR STIMULATION OF SECRETION OF PARATHYROID HORMONE NPS PHARMACEUTICALS, INC. 2004-06-15 US disclosed
US-20030176485-A1 Calcium receptor active compounds NPS PHARMACEUTICALS, INC. 2003-09-18 US disclosed
US-20030144526-A1 Calcium receptor-active compounds NPS PHARMACEUTICALS, INC. 2003-07-31 US disclosed
US-20020107406-A1 Calcium receptor-active compounds NPS PHARMACEUTICALS, INC. (US) 2002-08-08 US disclosed
US-6362231-B1 MODULATOR OF PARATHYROID HORMONE; OSTEOPOROSIS NPS PHARMACEUTICALS, INC. 2002-03-26 US disclosed
EP-0933354-A1 CALCIUM RECEPTOR-ACTIVE COMPOUNDS KIRIN BEER KABUSHIKI KAISHA (JP) 1999-08-04 EP 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-20030144526-A1 Calcium receptor-active compounds CASR, CALCR, CNR1 IL4I1 2446/4885MAOB 3108/4885LMNA 4615/4885
US-20090176993-A1 Calcium receptor active compounds CASR, CALCR, CACNA1E IL4I1 2498/4885MAOB 3612/4885LMNA 4836/4885
US-20030176485-A1 Calcium receptor active compounds CASR, CNR1, CALCR IL4I1 2504/4885MAOB 3140/4885LMNA 4704/4885

“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.