SCHEMBL1743579

SCHEMBL1743579

FC(F)(F)c1ccc(C(c2ccccc2)N2CCNCC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.72
KMT2A Q03164 1/20 0.72
OPRD1 P41143 12/20 0.69
OPRM1 P35372 1/20 0.60
OPRK1 P41145 1/20 0.60
OPRL1 P41146 1/20 0.60
CACNA1A O00555 1/20 0.56
CACNA2D1 P54289 1/20 0.56
CACNA1B Q00975 1/20 0.56
CACNB1 Q02641 1/20 0.56
CACNA1C Q13936 1/20 0.56
CYP2D6 P10635 2/20 0.54
CYP19A1 P11511 1/20 0.54
SLC6A4 P31645 2/20 0.53
USP2 O75604 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
SLC6A2 P23975 1/20 0.50

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
Hydrochloric Acid SCHEMBL5011277 0.98 MEN1 (0.70) MEN1KMT2AOPRD1OPRM1OPRK1
SCHEMBL5106757 0.94 CYP2D6 (0.61) MEN1KMT2AOPRD1OPRM1OPRK1
SCHEMBL16225913 0.93 MEN1 (0.61) MEN1KMT2AOPRD1OPRM1OPRK1
SCHEMBL4135481 0.87 MEN1 (0.66) MEN1KMT2AOPRD1OPRM1OPRK1
SCHEMBL2794662 0.85 MEN1 (1.00) MEN1KMT2AOPRD1OPRM1CYP2D6
SCHEMBL219432 0.85 MEN1 (1.00) MEN1KMT2AOPRD1OPRM1CYP2D6
Hydrochloric Acid SCHEMBL7006476 0.83 MEN1 (0.96) MEN1KMT2AOPRD1OPRM1CYP2D6
SCHEMBL27485345 0.83 MEN1 (0.96) MEN1KMT2AOPRD1OPRM1CYP2D6
Hydrochloric Acid SCHEMBL11456225 0.83 MEN1 (0.96) MEN1KMT2AOPRD1OPRM1CYP2D6
Piperazine SCHEMBL28229145 0.83 MEN1 (0.96) MEN1KMT2AOPRD1OPRM1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387566-B1 PROCESS FOR THE PREPARATION OF ROSUVASTATIN KRKA TOVARNA ZDRAVIL D D NOVO MESTO (SI) 2014-05-07 EP claimed
EP-2565183-A1 Glycine transporter-1 inhibitors Amgen Inc. (US) 2013-03-06 EP claimed
EP-2387566-A1 PROCESS FOR THE PREPARATION OF ROSUVASTATIN KRKA, tovarna zdravil, d.d., Novo mesto (SI) 2011-11-23 EP claimed
US-20110253932-A1 OPTICAL FUNCTIONAL FILM, RETARDATION FILM, COMPOSITION FOR FORMING OPTICAL FUNCTIONAL LAYER AND PRODUCING METHOD OF OPTICAL FUNCTIONAL FILM DAI NIPPON PRINTING CO., LTD. (JP) 2011-10-20 US claimed
WO-2010081861-A1 PROCESS FOR THE PREPARATION OF ROSUVASTATIN KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) 2010-07-22 WO claimed
US-9663476-B2 Glycine transporter-1 inhibitors AMGEN INC. (US) 2017-05-30 US disclosed
EP-2947067-A1 Glycine transporter-1 inhibitors Amgen, Inc (US) 2015-11-25 EP disclosed
US-20150307457-A1 GLYCINE TRANSPORTER-1 INHIBITORS AMGEN INC. (US) 2015-10-29 US disclosed
EP-2752407-B1 Crystalline rosuvastatin calcium trihydrate KRKA TOVARNA ZDRAVIL D D NOVO MESTO (SI) 2015-09-23 EP disclosed
US-8735383-B2 Glycine transporter-1 inhibitors AMGEN INC. (US) 2014-05-27 US disclosed
EP-2041088-B1 GLYCINE TRANSPORTER-1 INHIBITORS AMGEN INC (US) 2014-01-08 EP disclosed
EP-2565183-A1 Glycine transporter-1 inhibitors Amgen Inc. (US) 2013-03-06 EP disclosed
EP-1020443-B1 PROCESS FOR PRODUCING PIPERAZINESULFONAMIDE DERIVATIVES AND SALTS THEREOF AZWELL INC (JP) 2003-09-10 EP disclosed
US-6172228-B1 Process for producing piperazinesulfonamide derivatives and salts thereof AZWELL INC. (JP) 2001-01-09 US disclosed
EP-1020443-A1 PROCESS FOR PRODUCING PIPERAZINESULFONAMIDE DERIVATIVES AND SALTS THEREOF Azwell Inc. (JP) 2000-07-19 EP disclosed
US-5703071-A Tropolone derivatives and pharmaceutical composition thereof for preventing and treating ischemic diseases PHARMACIA & UPJOHN COMPANY (US) 1997-12-30 US disclosed
EP-0546102-B1 TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES UPJOHN CO (US) 1997-10-15 EP disclosed
US-5594144-A TREATING CEREBROVASCULAR AND CARDIOVASCULAR DISORDERS THE UPJOHN COMPANY (US) 1997-01-14 US disclosed
EP-0546102-A1 TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES. UPJOHN CO (US) 1993-06-16 EP disclosed
WO-1992004338-A1 TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES THE UPJOHN COMPANY (US) 1992-03-19 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-20150307457-A1 GLYCINE TRANSPORTER-1 INHIBITORS SLC18A2, SLC7A11, SLC6A5 MEN1 2625/4885KMT2A 843/4885OPRD1 2137/4885

“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.