SCHEMBL9969447

SCHEMBL9969447

CC(C)(C)CCc1ccc(F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
RIPK1 Q13546 1/20 0.41
DAO P14920 2/20 0.41
KCNH2 Q12809 3/20 0.37
TMEM97 Q5BJF2 3/20 0.37
SIGMAR1 Q99720 3/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL16592130 0.84 DAO (0.46) DAOKCNH2TMEM97SIGMAR1
SCHEMBL15583953 0.82 PNMT (0.41) ALDH1A1KCNH2TMEM97SIGMAR1
SCHEMBL14945729 0.82 KCNH2 (0.43) ALDH1A1KCNH2TMEM97SIGMAR1
SCHEMBL15735957 0.80 KCNH2 (0.39) ALDH1A1HTTRIPK1DAOKCNH2
SCHEMBL18997063 0.80 KDM4E (0.47) ALDH1A1HTTKCNH2TMEM97SIGMAR1
SCHEMBL19791995 0.80 ALDH1A1 (0.38) ALDH1A1HTTRIPK1DAOKCNH2
SCHEMBL16576664 0.80 KCNH2 (0.36) KCNH2TMEM97SIGMAR1
SCHEMBL16105820 0.79 DAO (0.55) ALDH1A1HTTDAOMAOAMAOB
SCHEMBL73649 0.78 ESR1 (0.46) ALDH1A1HTTRIPK1DAOMAOA
SCHEMBL9057779 0.78 CACNA1H (0.38) DAOKCNH2TMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11826350-B2 Proline-based neuropeptide FF receptor modulators RESEARCH TRIANGLE INSTITUTE (US) 2023-11-28 US disclosed
US-11826350-B2 Proline-based neuropeptide FF receptor modulators RESEARCH TRIANGLE INSTITUTE (US) 2023-11-28 US disclosed
US-20200030287-A1 PROLINE-BASED NEUROPEPTIDE FF RECEPTOR MODULATORS RESEARCH TRIANGLE INSTITUTE 2020-01-30 US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-20110015185-A1 Benzofuran Compounds BIOVITRUM AB (SE) 2011-01-20 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 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 (7 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-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 ALDH1A1 2970/4885HTT 2861/4885RIPK1 3599/4885
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 ALDH1A1 2970/4885HTT 2861/4885RIPK1 3599/4885
US-20200030287-A1 PROLINE-BASED NEUROPEPTIDE FF RECEPTOR MODULATORS NPFFR1, NPFFR2, NPBWR1 ALDH1A1 3691/4885HTT 1324/4885RIPK1 2841/4885
US-11826350-B2 Proline-based neuropeptide FF receptor modulators NPFFR1, NPFFR2, NPBWR1 ALDH1A1 3691/4885HTT 1324/4885RIPK1 2841/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC ALDH1A1 3986/4885HTT 1036/4885RIPK1 1775/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 ALDH1A1 2970/4885HTT 2861/4885RIPK1 3599/4885
US-20110015185-A1 Benzofuran Compounds HTR6, HTR1F, HTR1A ALDH1A1 353/4885HTT 881/4885RIPK1 4507/4885

“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.