SCHEMBL254573

SCHEMBL254573

COc1ccc(CCNC(C)C)cc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.72
HTT P42858 2/20 0.72
ALDH1A1 P00352 2/20 0.54
MAPT P10636 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA5A P35218 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
TAAR1 Q96RJ0 1/20 0.52
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 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
SCHEMBL29342459 0.89 SIGMAR1 (0.66) SMN1; SMN2HTTALDH1A1SIGMAR1TAAR1
SCHEMBL10815976 0.87 SIGMAR1 (0.60) SMN1; SMN2HTTALDH1A1SIGMAR1TAAR1
SCHEMBL15980805 0.84 SMN1; SMN2 (0.54) SMN1; SMN2HTTMAPTCA12CA1
SCHEMBL22292106 0.84 SMN1; SMN2 (0.76) SMN1; SMN2HTTALDH1A1MAPTCA12
SCHEMBL19505658 0.84 HTT (1.00) SMN1; SMN2HTTMAPTCA12CA1
SCHEMBL16075057 0.83 ACACB (0.52) SMN1; SMN2HTTALDH1A1SIGMAR1KDM4E
SCHEMBL30797608 0.82 SMN1; SMN2 (0.73) SMN1; SMN2HTTMAPTCA12CA1
SCHEMBL15980804 0.82 SMN1; SMN2 (0.51) SMN1; SMN2HTTMAPTCA12CA1
SCHEMBL12312565 0.80 SLC2A1 (0.63) SMN1; SMN2HTTSIGMAR1
SCHEMBL278630 0.80 CASR (0.58) SMN1; SMN2HTTALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117327050-A Bimetal synergistic promotion system and application thereof in asymmetric synthesis of (S, S) -TBAJ-587 上海交通大学 2024-01-02 CN disclosed
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-20230181747-A1 DRUG LOADED PEPTIDE BRUSH POLYMERS NORTHWESTERN UNIVERSITY (US) 2023-06-15 US disclosed
US-20230181747-A1 DRUG LOADED PEPTIDE BRUSH POLYMERS NORTHWESTERN UNIVERSITY (US) 2023-06-15 US disclosed
US-11028058-B2 Heterocyclic compounds as adenosine antagonists NUVATION BIO INC. (US) 2021-06-08 US disclosed
US-10730903-B2 Adenosine analogs as methyltransferase inhibitors for treating cancer MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2020-08-04 US disclosed
US-20200231570-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2020-07-23 US disclosed
US-20200030287-A1 PROLINE-BASED NEUROPEPTIDE FF RECEPTOR MODULATORS RESEARCH TRIANGLE INSTITUTE 2020-01-30 US disclosed
US-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-01-24 US disclosed
US-20090325962-A1 TYROSINE DERIVATIVE GENENTECH, INC. (US) 2009-12-31 US disclosed
US-20090325962-A1 TYROSINE DERIVATIVE GENENTECH, INC. (US) 2009-12-31 US disclosed
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 US disclosed
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 US disclosed
US-7557143-B2 Thyroid receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 US disclosed
US-7557143-B2 Thyroid receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 US disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 US disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US disclosed
US-7166600-B2 Thiocarbamate inhibitors of alpha-4 integrins GENENTECH, INC. (US) 2007-01-23 US disclosed
US-7166600-B2 Thiocarbamate inhibitors of alpha-4 integrins GENENTECH, INC. (US) 2007-01-23 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 (10 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-20090325962-A1 TYROSINE DERIVATIVE VCAM1, ICAM1, ITGB4 SMN1; SMN2 4604/4885HTT 4593/4885ALDH1A1 401/4885
US-20230181747-A1 DRUG LOADED PEPTIDE BRUSH POLYMERS GRPR, LNPEP, ADM2 SMN1; SMN2 2589/4885HTT 1221/4885ALDH1A1 3527/4885
US-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 SMN1; SMN2 4476/4885HTT 3160/4885ALDH1A1 2100/4885
US-20200030287-A1 PROLINE-BASED NEUROPEPTIDE FF RECEPTOR MODULATORS NPFFR1, NPFFR2, NPBWR1 SMN1; SMN2 1704/4885HTT 1324/4885ALDH1A1 3691/4885
US-11028058-B2 Heterocyclic compounds as adenosine antagonists ADORA2A, ADORA3, ADORA1 SMN1; SMN2 4476/4885HTT 3160/4885ALDH1A1 2100/4885
US-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 SMN1; SMN2 4274/4885HTT 3749/4885ALDH1A1 2070/4885
US-20200231570-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 SMN1; SMN2 4476/4885HTT 3160/4885ALDH1A1 2100/4885
US-11826350-B2 Proline-based neuropeptide FF receptor modulators NPFFR1, NPFFR2, NPBWR1 SMN1; SMN2 1704/4885HTT 1324/4885ALDH1A1 3691/4885
US-20080075719-A1 Method for Augmenting B Cell Depletion CD22, ITGAM, FCGR3B SMN1; SMN2 3548/4885HTT 4876/4885ALDH1A1 1424/4885
US-10730903-B2 Adenosine analogs as methyltransferase inhibitors for treating cancer DIMT1, TPMT, MTAP SMN1; SMN2 2363/4885HTT 4615/4885ALDH1A1 325/4885

“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.