SCHEMBL313138

SCHEMBL313138

Cc1cc(C(=O)Nc2cc(CN[C@H](C)c3ccccc3)ccc2Cl)no1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
PTGS2 P35354 1/20 0.47
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 3/20 0.46
TP53 P04637 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL3879023 1.00 NPC1 (0.52) NPC1CYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL4999787 0.91 NPC1 (0.49) NPC1CYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL4999791 0.91 NPC1 (0.49) NPC1CYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL4993650 0.88 THRB (0.56) NPC1SMN1; SMN2LMNAHPGDHSD17B10
SCHEMBL4999756 0.85 SMN1; SMN2 (0.52) CYP1A2CYP2D6CYP2C19SMN1; SMN2LMNA
SCHEMBL4543778 0.84 THRB (0.43) NPC1SMN1; SMN2LMNAHPGDHSD17B10
SCHEMBL3959378 0.84 THRB (0.43) NPC1SMN1; SMN2LMNAHPGDHSD17B10
SCHEMBL3879826 0.84 GRM4 (0.48) NPC1SMN1; SMN2GAAHTTRAB9A
SCHEMBL311727 0.84 GRM4 (0.48) NPC1SMN1; SMN2GAAHTTRAB9A
SCHEMBL4540403 0.84 HDAC1 (0.53) NPC1CYP1A2SMN1; SMN2HPGDRAB9A

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-8349831-B2 Osteoporosis, bone disorders, or diseases associated with excessive secretion of PTH, such as hyperparathyroidism; reduce or inhibit parathyroid hormone (PTH) secretion AMGEN INC. (US) 2013-01-08 US claimed
US-20090018135-A1 Methods of treating bowel disorders AMGEN INC. (US) 2009-01-15 US claimed
US-20080221101-A1 Calcium receptor modulating agents AMGEN INC. (US) 2008-09-11 US claimed
EP-2139462-B1 CALCIMIMETIC COMPOUNDS FOR USE IN THE TREATMENT OF BOWEL DISORDERS AMGEN INC (US) 2014-01-22 EP disclosed
US-8349831-B2 Osteoporosis, bone disorders, or diseases associated with excessive secretion of PTH, such as hyperparathyroidism; reduce or inhibit parathyroid hormone (PTH) secretion AMGEN INC. (US) 2013-01-08 US disclosed
US-8349831-B2 Osteoporosis, bone disorders, or diseases associated with excessive secretion of PTH, such as hyperparathyroidism; reduce or inhibit parathyroid hormone (PTH) secretion AMGEN INC. (US) 2013-01-08 US disclosed
US-8349831-B2 Osteoporosis, bone disorders, or diseases associated with excessive secretion of PTH, such as hyperparathyroidism; reduce or inhibit parathyroid hormone (PTH) secretion AMGEN INC. (US) 2013-01-08 US disclosed
US-20120232158-A1 METHODS OF TREATING HYPERACIDIC DISORDERS YALE UNIVERISTY 2012-09-13 US disclosed
US-8093299-B2 Methods of treating bowel disorders AMGEN INC. (US) 2012-01-10 US disclosed
EP-2139462-A2 CALCIMIMETIC COMPOUNDS FOR USE IN THE TREATMENT OF BOWEL DISORDERS Amgen Inc. (US) 2010-01-06 EP disclosed
US-20090018135-A1 Methods of treating bowel disorders AMGEN INC. (US) 2009-01-15 US disclosed
WO-2008121386-A2 CALCIMIMETIC COMPOUNDS FOR USE IN THE TREATMENT OF BOWEL DISORDERS AMGEN INC. (US) 2008-10-09 WO disclosed
US-20080221101-A1 Calcium receptor modulating agents AMGEN INC. (US) 2008-09-11 US disclosed
US-20080221101-A1 Calcium receptor modulating agents AMGEN INC. (US) 2008-09-11 US disclosed
US-20080221101-A1 Calcium receptor modulating agents AMGEN INC. (US) 2008-09-11 US disclosed
US-20080027052-A1 METHODS FOR TREATING CYSTIC KIDNEY DISEASE INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION 2008-01-31 US 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-20120232158-A1 METHODS OF TREATING HYPERACIDIC DISORDERS HRH2, GRPR, SLC10A2 NPC1 361/4885CYP1A2 2124/4885CYP2D6 1344/4885
US-20090018135-A1 Methods of treating bowel disorders SLC10A2, FABP2, ALPI NPC1 2224/4885CYP1A2 1888/4885CYP2D6 2185/4885
US-20080027052-A1 METHODS FOR TREATING CYSTIC KIDNEY DISEASE PKD2, PKD1, REN NPC1 320/4885CYP1A2 4625/4885CYP2D6 4152/4885
US-20080221101-A1 Calcium receptor modulating agents CASR, RYR1, RYR2 NPC1 1243/4885CYP1A2 2608/4885CYP2D6 2495/4885

“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.