SCHEMBL4771937

SCHEMBL4771937

CC(C)OC(=O)Nc1ccc(C#N)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.61
HPGD P15428 2/20 0.61
NPC1 O15118 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KDM4E B2RXH2 2/20 0.54
MAPT P10636 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 2/20 0.53
POLB P06746 1/20 0.53
PKM P14618 1/20 0.53
MAPK1 P28482 1/20 0.53
IL18 Q14116 1/20 0.53
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
NLRP3 Q96P20 1/20 0.50

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
SCHEMBL15143918 0.86 SMN1; SMN2 (0.79) RAB9AHPGDNPC1CYP1A2CYP2D6
SCHEMBL2088691 0.82 PGR (0.62) RAB9AHPGDNPC1SMN1; SMN2KDM4E
SCHEMBL19537303 0.80 IDO1 (0.51) RAB9AKDM4EMAPTMEN1KMT2A
SCHEMBL6415967 0.80 SMN1; SMN2 (0.56) RAB9ASMN1; SMN2KDM4EMAPTMEN1
SCHEMBL10192163 0.79 NPC1 (0.69) RAB9AHPGDNPC1CYP1A2CYP2D6
SCHEMBL12309897 0.77 PGR (0.56) RAB9AHPGDNPC1CYP1A2CYP2C9
SCHEMBL17904708 0.77 NPC1 (0.67) RAB9AHPGDNPC1CYP1A2CYP2D6
SCHEMBL20941550 0.77 MAPT (0.54) RAB9AKDM4EMAPTMEN1KMT2A
SCHEMBL12996859 0.77 SMN1; SMN2 (0.67) RAB9AHPGDNPC1CYP1A2CYP2D6
SCHEMBL13513998 0.77 RAB9A (0.67) RAB9AHPGDNPC1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1722796-A4 TETRACYCLIC LACTAM DERIVATIVES AND USES THEREOF INOTEK PHARMACEUTICALS CORP (US) 2008-01-23 EP disclosed
WO-2007117289-A2 METHODS FOR TREATING OR PREVENTING ERECTILE DYSFUNCTION OR URINARY INCONTINENCE INOTEK PHARMACEUTICALS CORPORATION (US) 2007-10-18 WO disclosed
CN-101014343-A Tetracyclic lactam derivatives and uses thereof INOTEK PHARMACEUTICALS CORP (US) 2007-08-08 CN disclosed
EP-1722796-A2 TETRACYCLIC LACTAM DERIVATIVES AND USES THEREOF Inotek Pharmaceuticals Corporation (US) 2006-11-22 EP disclosed
US-20050261288-A1 Tetracyclic lactam derivatives and uses thereof INOTEK PHARMACEUTICALS CORPORATION 2005-11-24 US disclosed
WO-2005082079-A2 TETRACYCLIC LACTAM DERIVATIVES AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2005-09-09 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 (1 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-20050261288-A1 Tetracyclic lactam derivatives and uses thereof PARK7, GLS, IAPP RAB9A 1521/4885HPGD 771/4885NPC1 4064/4885

“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.