SCHEMBL14212422

SCHEMBL14212422

CC(C)(C)c1cc2n(n1)CCCc1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 6/20 0.39
DRD5 P21918 6/20 0.39
DRD4 P21917 6/20 0.39
DRD2 P14416 5/20 0.35
DRD3 P35462 5/20 0.35
RIPK1 Q13546 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GRM5 P41594 1/20 0.34
CES1 P23141 1/20 0.33
SETD7 Q8WTS6 1/20 0.33
CYP2A6 P11509 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL16285299 0.74 CYP1A2 (0.45) KDM4EGRM5
SCHEMBL9963883 0.73 ADORA3 (0.35) DRD1GRM5
SCHEMBL12797127 0.72 NOTUM (0.43) DRD1DRD5MAPTSMN1; SMN2HPGD
SCHEMBL12622660 0.70 GRM5 (0.40) KDM4EGRM5
SCHEMBL12797113 0.70 GABRP (0.47) KDM4EMAPTSMN1; SMN2HPGDL3MBTL1
SCHEMBL9963886 0.70 MME (0.38) DRD1PKMGRM5
SCHEMBL10202352 0.66 DRD4 (0.45) DRD4KDM4ENPC1MAPTRAB9A
SCHEMBL12299471 0.65 PDE10A (0.39) GRM5
SCHEMBL19820948 0.65 GRM5 (0.33) DRD1DRD5DRD4DRD2DRD3
SCHEMBL10202788 0.65 CYP2A6 (0.39) DRD1DRD5DRD4NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105503-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-04-19 US disclosed
US-9771337-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-09-26 US disclosed
US-20170088526-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-03-30 US disclosed
US-9499487-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-11-22 US disclosed
US-20120309724-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-12-06 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 (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-20120309724-A1 NEPRILYSIN INHIBITORS MME, REN, ACE DRD1 1527/4885DRD5 1694/4885DRD4 912/4885
US-20180105503-A1 NEPRILYSIN INHIBITORS MME, REN, ACE DRD1 1527/4885DRD5 1694/4885DRD4 912/4885
US-20170088526-A1 NEPRILYSIN INHIBITORS MME, REN, ACE DRD1 1527/4885DRD5 1694/4885DRD4 912/4885

“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.