SCHEMBL4067323

SCHEMBL4067323

Fc1ccc(N2C[CH]CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPK1 P28482 2/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.50
GFER P55789 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TP53 P04637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL4067417 0.88 MAPT (0.49) MAPTALDH1A1MAPK1LMNAHTT
SCHEMBL1266996 0.86 MAPT (0.59) MAPTALDH1A1MAPK1LMNAHTT
SCHEMBL4565389 0.81 MAPK1 (0.48) MAPTALDH1A1MAPK1LMNAHTT
Hydrochloric Acid SCHEMBL6368616 0.79 MAPK1 (0.47) MAPTALDH1A1MAPK1LMNAHTT
SCHEMBL4071866 0.78 ADRB1 (0.50) MAPTALDH1A1LMNAHTTTDP1
SCHEMBL2127395 0.78 MAPT (0.52) MAPTALDH1A1MAPK1LMNAHTT
SCHEMBL4068045 0.78 HTR3E (0.50) MAPTALDH1A1LMNAHTTGFER
SCHEMBL6399527 0.78 MAPT (0.46) MAPTALDH1A1LMNAGFERTDP1
SCHEMBL4065775 0.78 MAOB (0.38)
SCHEMBL4069611 0.78 CA12 (0.46) ALDH1A1LMNAKDM4ECA12CA2

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
CN-104203928-B Triazineon compounds and T-shaped calcium channel blocker 日产化学工业株式会社 2017-06-06 CN disclosed
CN-104203928-A Triazinone compound and T-type calcium channel inhibitor NISSAN CHEMICAL IND LTD 2014-12-10 CN disclosed
EP-1415986-B1 SPIRO ISOBENZOFURANES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS BANYU PHARMA CO LTD (JP) 2009-04-08 EP disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 US disclosed
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-06 US disclosed
US-20040259890-A1 Spiro compounds MSD K.K. (JP) 2004-12-23 US disclosed
CN-1538956-A Spiro compounds ������ҩ��ʽ���� 2004-10-20 CN disclosed
EP-1415986-A1 SPIRO COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-0757051-B1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-10-29 EP disclosed
US-6051569-A 1'S, 5R, 6R-carbapenem derivatives and antimicrobial agents comprising the same SUNTORY LIMITED (JP) 2000-04-18 US disclosed
EP-0826687-A1 Carbapenem derivatives and antimicrobial agents comprising the same SUNTORY LIMITED (JP) 1998-03-04 EP disclosed
EP-0774465-A1 Penem derivatives and antimicrobial agents containing the same SUNTORY LIMITED (JP) 1997-05-21 EP disclosed
EP-0757051-A1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-05 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 (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-20040259890-A1 Spiro compounds OPRD1, PER2, OPRK1 MAPT 1752/4885ALDH1A1 1250/4885MAPK1 3272/4885
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same MRPL21, MRPS2, MRPS28 MAPT 3740/4885ALDH1A1 1862/4885MAPK1 2509/4885

“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.