SCHEMBL6399622

SCHEMBL6399622

O=C(CN1C[CH]CC1)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HTR2A P28223 9/20 0.48
HTR2C P28335 6/20 0.48
KCNH2 Q12809 1/20 0.48
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SIGMAR1 Q99720 2/20 0.45
PTPN1 P18031 1/20 0.44
DRD2 P14416 1/20 0.44
HTR2B P41595 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL28197772 0.90 ALDH1A1 (0.58) TSHRALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL7208414 0.85 GRIN2B (0.47) ALDH1A1KDM4EMEN1GAAKMT2A
SCHEMBL6400119 0.84 CYP19A1 (0.44) TSHRALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL6396604 0.84 KMT2A (0.62) TSHRALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL6398248 0.83 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2HTR2AHTR2C
SCHEMBL6400029 0.80 ALDH1A1 (0.65) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL9871356 0.80 ALDH1A1 (0.61) TSHRALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL6403309 0.78 ALPG (0.64) ALDH1A1KDM4EMEN1GAAKMT2A
Hydrochloric Acid SCHEMBL10369554 0.78 ALDH1A1 (0.60) TSHRALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL28197149 0.78 ALDH1A1 (0.62) TSHRALDH1A1KDM4EHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-06 US 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 (1 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-20050004092-A1 Penem derivatives and antimicrobial agent containing the same MRPL21, MRPS2, MRPS28 TSHR 2489/4885ALDH1A1 1862/4885KDM4E 1902/4885

“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.