SCHEMBL4601277

SCHEMBL4601277

CCn1cc(C[C@@H](N)C(=O)O)c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.69
▸ ALDH1A1 P00352 1/20 0.69
▸ RECQL P46063 1/20 0.69
▸ KMT2A Q03164 2/20 0.52
▸ LMNA P02545 2/20 0.49
▸ BRCA1 P38398 1/20 0.49
▸ NR4A2 P43354 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ MPO P05164 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ PMP22 Q01453 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ SCN9A Q15858 1/20 0.47
▸ CDC25A P30304 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ PLK1 P53350 1/20 0.46
▸ PADI4 Q9UM07 1/20 0.46
▸ ALPI P09923 1/20 0.46

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
SCHEMBL1519918 1.00 MAPT (0.69) MAPTALDH1A1RECQLKMT2ALMNA
SCHEMBL1519915 1.00 MAPT (0.69) MAPTALDH1A1RECQLKMT2ALMNA
SCHEMBL26009218 0.89 ALDH1A1 (0.66) MAPTALDH1A1RECQLKMT2ALMNA
SCHEMBL29982985 0.86 ALDH1A1 (0.65) MAPTALDH1A1RECQLKMT2ALMNA
SCHEMBL22188707 0.86 ALDH1A1 (0.65) MAPTALDH1A1RECQLKMT2ALMNA
SCHEMBL25356185 0.86 MAPT (0.65) MAPTALDH1A1RECQLKMT2ALMNA
SCHEMBL26008292 0.86 MAPT (0.65) MAPTALDH1A1RECQLKMT2ALMNA
SCHEMBL22188706 0.86 ALDH1A1 (0.65) MAPTALDH1A1RECQLKMT2ALMNA
SCHEMBL29552404 0.86 ALDH1A1 (0.65) MAPTALDH1A1RECQLKMT2ALMNA
SCHEMBL3856046 0.85 ALDH1A1 (0.55) MAPTALDH1A1RECQLKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009098901-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 2009-08-13 — — WO disclosed
US-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-09-11 — — US disclosed
WO-2008071453-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 — — WO disclosed
EP-1932831-A1 1,2-Diarylacetylene Derivatives of Acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-06-18 — — EP disclosed
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 — — EP disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 — — US disclosed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 — — WO 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 (2 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-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 MAPT 4236/4885ALDH1A1 2416/4885RECQL 523/4885
US-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R MAPT 4047/4885ALDH1A1 3830/4885RECQL 490/4885

“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.

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