SCHEMBL605459

SCHEMBL605459

c1ccc(CNC2CCNC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.63
SLC6A4 P31645 1/20 0.63
SLC6A3 Q01959 1/20 0.63
GRIN2B Q13224 3/20 0.54
BCHE P06276 2/20 0.50
ACHE P22303 2/20 0.50
BACE1 P56817 2/20 0.50
MEN1 O00255 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
KCNH2 Q12809 1/20 0.48
KDM1A O60341 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
FYN P06241 1/20 0.46
GBA1 P04062 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRL1 P41146 1/20 0.45
SOS1 Q07889 1/20 0.45
CARM1 Q86X55 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
SCHEMBL4766363 1.00 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3GRIN2BBCHE
SCHEMBL239923 1.00 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3GRIN2BBCHE
Hydrochloric Acid SCHEMBL697481 0.98 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3GRIN2BBCHE
Hydrochloric Acid SCHEMBL697480 0.98 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3GRIN2BBCHE
SCHEMBL994345 0.90 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3GRIN2BBCHE
SCHEMBL2687312 0.90 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3GRIN2BBCHE
SCHEMBL658055 0.89 GRIN2B (0.62) SLC6A2SLC6A4SLC6A3GRIN2BBCHE
SCHEMBL4696319 0.88 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3GRIN2BBCHE
Hydrochloric Acid SCHEMBL5238529 0.87 GRIN2B (0.61) SLC6A2SLC6A4SLC6A3GRIN2BBCHE
SCHEMBL8186106 0.85 GRIN2B (0.56) SLC6A2SLC6A4SLC6A3GRIN2BBCHE

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 116 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US claimed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP claimed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO claimed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 US claimed
EP-1278739-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR AstraZeneca AB (SE) 2003-01-29 EP claimed
WO-2001085714-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR ASTRAZENECA AB (SE) 2001-11-15 WO claimed
US-4995997-A Containing aromatic amine YUSHIRO CHEMICAL INDUSTRY CO., LTD. (JP) 1991-02-26 US claimed
JP-9216866-A None JP disclosed
JP-9176115-A None JP disclosed
CN-111592480-B Preparation method of cefpiramate intermediate (R) -1-tert-butoxycarbonyl-3-aminopyrrolidine 山西千岫制药有限公司 2023-06-23 CN disclosed
CN-112574087-B Synthetic method of 3-aminopyrrolidine hydrochloride 南京杰运医药科技有限公司 2022-07-26 CN disclosed
CN-112574087-A Synthetic method of 3-aminopyrrolidine hydrochloride 南京杰运医药科技有限公司 2021-03-30 CN disclosed
CN-111620802-A Preparation method of cefditoren intermediate (R) -1-benzyl-3-aminopyrrolidine 山西千岫制药有限公司 2020-09-04 CN disclosed
EP-0871628-A1 QUINOLIZINONE TYPE COMPOUNDS Abbott Laboratories (US) 1998-10-21 EP disclosed
US-5726182-A TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1998-03-10 US disclosed
JP-H09216866-A PRODUCTION OF OPTICALLY ACTIVE N-BENZYL-3-AMINOPYRROLIDINE KOEI CHEM CO LTD 1997-08-19 JP disclosed
JP-H09176115-A PRODUCTION OF OPTICALLY ACTIVE N-BENZYL-3-AMINOPYRROLIDINE KOEI CHEM CO LTD 1997-07-08 JP disclosed
CN-1147248-A N- (3-pyrrolidinyl) benzamide derivatives YAMANOUCHI PHARMA CO LTD (JP) 1997-04-09 CN disclosed
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US disclosed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 WO 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-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF ACKR3, KIT, C3AR1 SLC6A2 4293/4885SLC6A4 2681/4885SLC6A3 3982/4885

“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.