SCHEMBL189134

SCHEMBL189134

CC(C)C(=O)N1CCN(c2ccc(N)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 5/20 0.68
CASP6 P55212 1/20 0.68
NAMPT P43490 1/20 0.54
MAPT P10636 11/20 0.53
ALDH1A1 P00352 7/20 0.53
KDM4E B2RXH2 6/20 0.53
GAA P10253 5/20 0.53
KMT2A Q03164 3/20 0.53
ADRA2C P18825 1/20 0.53
PTK2B Q14289 1/20 0.53
ESR2 Q92731 1/20 0.53
NPSR1 Q6W5P4 3/20 0.52
LMNA P02545 5/20 0.51
ALOX12 P18054 2/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 2/20 0.49
RAD52 P43351 1/20 0.49

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
SCHEMBL18039045 0.89 GFER (0.66) GFERCASP6NAMPTMAPTALDH1A1
SCHEMBL8236903 0.89 GFER (0.66) GFERCASP6NAMPTMAPTALDH1A1
SCHEMBL23544884 0.87 PANK3 (0.57) GFERCASP6NAMPTMAPTALDH1A1
SCHEMBL14586642 0.85 POLB (0.59) GFERNAMPTMAPTALDH1A1KDM4E
SCHEMBL12155872 0.85 MAPT (0.59) NAMPTMAPTALDH1A1KDM4EGAA
SCHEMBL4990421 0.84 NAMPT (0.52) GFERCASP6NAMPTMAPTALDH1A1
SCHEMBL13417640 0.83 MAPT (0.61) GFERNAMPTMAPTALDH1A1KDM4E
SCHEMBL9891789 0.83 MAPK1 (0.62) NAMPTMAPTALDH1A1GAAKMT2A
SCHEMBL188503 0.81 GFER (1.00) GFERCASP6NAMPTMAPTALDH1A1
SCHEMBL6152986 0.81 GFER (1.00) GFERCASP6NAMPTMAPTALDH1A1

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050182050-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2005-08-18 US claimed
US-6812225-B2 PYSCHOLOGICAL DISORDERS; ANTIDEPRESSANTS ASTRAZENECA AB (SE) 2004-11-02 US claimed
US-20030013708-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2003-01-16 US claimed
WO-2024105364-A1 HETEROCYCLIC INHIBITORS OF CDC-LIKE KINASES CURADEV PHARMA LTD (GB) 2024-05-23 WO disclosed
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US disclosed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US disclosed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US disclosed
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP disclosed
EP-2626361-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 EP disclosed
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP disclosed
US-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 US disclosed
EP-1353913-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
EP-1353915-A2 THERAPEUTIC CHROMAN COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
WO-2003037871-A1 THERAPEUTIC QUINOLONE COMPOUNDS WITH 5-HT-ANTAGONISTIC PROPERTIES ASTRAZENECA AB (SE) 2003-05-08 WO disclosed
WO-2003037872-A1 THERAPEUTIC QUINOLINE COMPOUNDS WITH 5-HT-ANTAGONISTIC PROPERTIES ASTRAZENECA AB (SE) 2003-05-08 WO disclosed
US-20030013708-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2003-01-16 US disclosed
WO-2002055013-A2 THERAPEUTIC CHROMONE COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed
WO-2002055012-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed
WO-2002055014-A2 THERAPEUTIC CHROMAN COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed
EP-1134214-A1 PICOLINAMIDE DERIVATIVES AND PEST CONTROLLERS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 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-20050182050-A1 Therapeutic heterocyclic compounds HTR1B, HTR1D, HTR1A GFER 4013/4885CASP6 2877/4885NAMPT 2479/4885
US-20030013708-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B GFER 4158/4885CASP6 2951/4885NAMPT 2677/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 GFER 1780/4885CASP6 2127/4885NAMPT 1025/4885

“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.