SCHEMBL3982946

SCHEMBL3982946

Cc1c(F)c(F)cc2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12.F[B]F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 10/20 0.48
▸ TOP2B Q02880 10/20 0.48
▸ KCNH2 Q12809 2/20 0.46
▸ KDM4E B2RXH2 3/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ OPRM1 P35372 1/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ LMNA P02545 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
SCHEMBL7510943 0.97 TOP2A (0.50) TOP2ATOP2BKCNH2KDM4EKMT2A
SCHEMBL3391642 0.97 TOP2A (0.50) TOP2ATOP2BKCNH2KDM4EKMT2A
SCHEMBL8139046 0.97 TOP2A (0.50) TOP2ATOP2BKCNH2KDM4EKMT2A
SCHEMBL2182111 0.93 TOP2A (0.48) TOP2ATOP2BKCNH2KDM4EKMT2A
SCHEMBL4747695 0.89 KCNH2 (0.48) TOP2ATOP2BKCNH2KDM4EKMT2A
SCHEMBL10330769 0.87 TOP2A (0.53) TOP2ATOP2BKCNH2KDM4EKMT2A
SCHEMBL3984286 0.86 TOP2A (0.62) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL83072 0.86 CYP3A4 (0.50) TOP2ATOP2BKCNH2KDM4EKMT2A
SCHEMBL7607382 0.86 TOP2A (0.53) TOP2ATOP2BKDM4EKMT2ASMN1; SMN2
SCHEMBL9096661 0.86 TOP2A (0.53) TOP2ATOP2BKDM4EKMT2ASMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476429-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 — — US disclosed
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-09-13 — — US disclosed
US-8211910-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-07-03 — — US disclosed
US-20090253726-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-08 — — US disclosed
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-20090012119-A1 FLUOROALKYLPYRROLIDINE DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-01-08 — — 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 (4 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-20090012119-A1 FLUOROALKYLPYRROLIDINE DERIVATIVE FPR1, VIP, Q6ZSR9 TOP2A 715/4885TOP2B 917/4885KCNH2 139/4885
US-20060264428-A1 Tri-, tetra-substituted-3-aminopyrrolidine derivative QTRT1, RRS1, LAS1L TOP2A 251/4885TOP2B 601/4885KCNH2 1399/4885
US-20090253726-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE AAAS, NPEPPS, TEAD4 TOP2A 23/4885TOP2B 69/4885KCNH2 2260/4885
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE TLR5, TEAD4, NAALAD2 TOP2A 43/4885TOP2B 165/4885KCNH2 2584/4885

“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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