SCHEMBL2926409

SCHEMBL2926409

CN(C)CCNC(=O)c1ccc(Br)cc1F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.67
TMEM97 Q5BJF2 1/20 0.63
SIGMAR1 Q99720 1/20 0.63
ALDH1A1 P00352 5/20 0.58
KDM4E B2RXH2 3/20 0.58
HPGD P15428 3/20 0.57
ALOX12 P18054 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
HTT P42858 1/20 0.56
ACKR3 P25106 1/20 0.52
RAD52 P43351 2/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
DGAT1 O75907 1/20 0.47
PPARD Q03181 1/20 0.47
HSD17B10 Q99714 2/20 0.45
GLA P06280 1/20 0.45

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
SCHEMBL3934495 0.95 TMEM97 (0.65) CYP1A2TMEM97SIGMAR1ALDH1A1KDM4E
SCHEMBL26838419 0.86 TMEM97 (0.59) CYP1A2TMEM97SIGMAR1ALDH1A1KDM4E
SCHEMBL30231342 0.85 ACKR3 (0.69) CYP1A2TMEM97SIGMAR1ALDH1A1KDM4E
SCHEMBL2823242 0.84 CYP1A2 (0.68) CYP1A2TMEM97SIGMAR1ALDH1A1KDM4E
SCHEMBL12121026 0.84 HTT (0.74) CYP1A2TMEM97SIGMAR1ALDH1A1KDM4E
SCHEMBL582871 0.84 TMEM97 (0.57) CYP1A2TMEM97SIGMAR1ALDH1A1KDM4E
SCHEMBL2993559 0.83 HTT (0.56) CYP1A2TMEM97SIGMAR1ALDH1A1KDM4E
SCHEMBL17677968 0.83 CYP1A2 (0.49) CYP1A2TMEM97SIGMAR1ALDH1A1KDM4E
SCHEMBL12343619 0.83 CYP1A2 (0.67) CYP1A2TMEM97SIGMAR1ALDH1A1KDM4E
SCHEMBL2921979 0.82 TMEM97 (0.56) CYP1A2TMEM97SIGMAR1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 US disclosed
US-8268994-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
EP-1768979-B1 OCTAHYDROPYRROLO[2, 3, C]PYRIDINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF MERCK SERONO SA (CH) 2010-09-29 EP disclosed
EP-2044058-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP disclosed
US-20100240686-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-23 US disclosed
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators SGX PHARMACEUTICALS, INC. 2010-02-11 US disclosed
US-7626021-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-12-01 US disclosed
US-7626021-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-12-01 US disclosed
CN-101472916-A Chemical compounds ASTRAZENECA AB (SE) 2009-07-01 CN disclosed
EP-2044058-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2009-04-08 EP disclosed
WO-2007148070-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2007-12-27 WO disclosed
US-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-12-13 US disclosed
US-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-12-13 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-20100240686-A1 CHEMICAL COMPOUNDS CCNI, CDKN1A, CCNB1 CYP1A2 226/4885TMEM97 2865/4885SIGMAR1 2305/4885
US-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS MAP3K20, TTK, MAP3K19 CYP1A2 4069/4885TMEM97 2561/4885SIGMAR1 3918/4885
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators MAP3K20, TTK, MAP3K19 CYP1A2 4069/4885TMEM97 2561/4885SIGMAR1 3918/4885
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 CYP1A2 2099/4885TMEM97 1005/4885SIGMAR1 3139/4885

“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.