SCHEMBL3976130

SCHEMBL3976130

CCCCC1N([C@H](C)c2ccccc2)C(=O)C(CCOS(=O)(=O)c2ccccc2)[C@]1(C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.37
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
APLNR P35414 3/20 0.33
TSHR P16473 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL741115 0.85 CHRM2 (0.32) CTSKCHRM2CHRM1MAPT
SCHEMBL3976001 0.83 CYP3A4 (0.34) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2761682 0.77 KMT2A (0.37) CTSKCHRM2CHRM1CYP3A4CYP2C9
SCHEMBL3976044 0.70 KMT2A (0.39) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3982820 0.70 KMT2A (0.39) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3984098 0.68 KCNA5 (0.37) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL3975008 0.68 KCNA5 (0.37) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL741450 0.66 KCNA5 (0.34) TSHRCYP3A4ALDH1A1MAPT
SCHEMBL30669866 0.65 TSHR (0.53) TSHRALDH1A1
SCHEMBL346204 0.65 TSHR (0.53) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563805-B2 7-[3-Amino-3,4-dimethylpyrrolidine-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-8-methyl-4-oxoquinoline-3-carboxylic acid: quinoline bactericide; broad spectrum, strong antibacterial activity for Grampositive/-negative including multiple resistant cocci; side effect reductcion; drug design DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-07-21 US disclosed
US-20060264428-A1 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-23 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 (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-20060264428-A1 Tri-, tetra-substituted-3-aminopyrrolidine derivative QTRT1, RRS1, LAS1L CTSK 3540/4885CHRM2 2084/4885CHRM1 677/4885

“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.