SCHEMBL9939340

SCHEMBL9939340

C[C@H]1CN(Cc2ccccc2)CC1(C)C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
ACHE P22303 1/20 0.50
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
OPRM1 P35372 1/20 0.46
OPRK1 P41145 1/20 0.46
FUCA1 P04066 2/20 0.46
MC4R P32245 1/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
NR1I2 O75469 1/20 0.41
RORC P51449 1/20 0.41

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
SCHEMBL10306175 1.00 GAA (0.51) GAAACHEMEN1TSHRKMT2A
SCHEMBL19506206 0.83 ACHE (0.60) GAAACHEMEN1TSHRKMT2A
SCHEMBL29312728 0.83 OPRM1 (0.53) GAAACHEMEN1TSHRKMT2A
SCHEMBL7225926 0.82 FUCA1 (0.50) GAAACHEMEN1TSHRKMT2A
SCHEMBL12167380 0.82 GAA (0.47) GAAACHEMEN1TSHRKMT2A
SCHEMBL1189221 0.81 FUCA1 (0.53) GAAACHEMEN1TSHRKMT2A
SCHEMBL1190369 0.81 FUCA1 (0.53) GAAACHEMEN1TSHRKMT2A
SCHEMBL6197152 0.81 FUCA1 (0.53) GAAACHEMEN1TSHRKMT2A
SCHEMBL9385749 0.81 GAA (0.50) GAAACHEMEN1TSHRKMT2A
SCHEMBL14302494 0.81 ACHE (0.49) GAAACHEMEN1TSHRKMT2A

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-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
EP-2463274-A1 Tri-or tetra-substituted-3-aminopyrrolidine deritatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-13 EP 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

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-20090253726-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE AAAS, NPEPPS, TEAD4 GAA 487/4885ACHE 3195/4885MEN1 3925/4885
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE TLR5, TEAD4, NAALAD2 GAA 1156/4885ACHE 3652/4885MEN1 4329/4885

“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.