SCHEMBL9124247

SCHEMBL9124247

CC(C)(C)CC(=O)NC1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
EPHX1 P07099 8/20 0.55
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 2/20 0.53
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
KDM4E B2RXH2 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
SCHEMBL2625524 0.98 SMN1; SMN2 (0.55) HPGDNPSR1EPHX1KMT2ASMN1; SMN2
SCHEMBL2625523 0.94 SMN1; SMN2 (0.50) HPGDNPSR1EPHX1KMT2ASMN1; SMN2
SCHEMBL23518502 0.90 HSD11B1 (0.54) HPGDNPSR1EPHX1KMT2ASMN1; SMN2
SCHEMBL23518575 0.90 HSD11B1 (0.54) HPGDNPSR1EPHX1KMT2ASMN1; SMN2
SCHEMBL1515374 0.90 HSD11B1 (0.54) HPGDNPSR1EPHX1KMT2ASMN1; SMN2
SCHEMBL23518549 0.86 HSD11B1 (0.45) HPGDNPSR1EPHX1KMT2ASMN1; SMN2
SCHEMBL14748208 0.86 HPGD (0.55) HPGDNPSR1EPHX1KMT2ASMN1; SMN2
SCHEMBL12572628 0.84 SMN1; SMN2 (0.53) HPGDNPSR1EPHX1KMT2ASMN1; SMN2
SCHEMBL12384376 0.82 EPHX2 (0.52) HPGDNPSR1EPHX1KMT2ASMN1; SMN2
SCHEMBL16543099 0.82 HSD11B1 (0.49) HPGDNPSR1EPHX1KMT2ASMN1; SMN2

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-3675858-B1 IMIDAZO[1,5-A]PYRAZINE COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION OPTIKIRA LLC (US) 2023-04-26 EP disclosed
EP-3141252-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Inc. (US) 2017-03-15 EP disclosed
US-9199996-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-12-01 US disclosed
US-20130190344-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130190308-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130184303-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-18 US disclosed
US-5434190-A N-aryl and N-cycloalkyl neoalkanamide insect repellents COLGATE-PALMOLIVE CO. (US) 1995-07-18 US disclosed
EP-0499992-B1 N-Aryl and N-cycloalkyl neoalkanamide insect repellents COLGATE PALMOLIVE CO (US) 1995-01-11 EP disclosed
US-5182305-A N-ARYL AND N-CYCLOAKYL NEOALKANAMIDE INSECT REPELLENTS COLGATE-PALMOLIVE CO. (US) 1993-01-26 US disclosed
EP-0499992-A1 N-Aryl and N-cycloalkyl neoalkanamide insect repellents Colgate-Palmolive Company (US) 1992-08-26 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-20130190344-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C HPGD 319/4885NPSR1 113/4885EPHX1 393/4885
US-20130190308-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C HPGD 325/4885NPSR1 115/4885EPHX1 393/4885
US-20130184303-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C HPGD 319/4885NPSR1 113/4885EPHX1 393/4885

“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.