Sugi Predict

Sugi Predict / Compounds / SCHEMBL1638947

SCHEMBL1638947

SCHEMBL1638947

CCCCCC1CNCCN1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 1/20 0.42
▸ S1PR1 P21453 3/20 0.40
▸ S1PR3 Q99500 3/20 0.40
▸ GBA1 P04062 4/20 0.38
▸ GLB1 P16278 4/20 0.38
▸ SPHK1 Q9NYA1 2/20 0.37
▸ GUSB P08236 1/20 0.37
▸ GBA2 Q9HCG7 2/20 0.35
▸ S1PR2 O95136 2/20 0.35
▸ S1PR4 O95977 2/20 0.35
▸ S1PR5 Q9H228 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL21010237 1.00 CXCR4 (0.42) CXCR4S1PR1S1PR3GBA1GLB1
SCHEMBL3129740 0.98 S1PR1 (0.42) CXCR4S1PR1S1PR3GBA1GLB1
SCHEMBL9751519 0.98 S1PR1 (0.42) CXCR4S1PR1S1PR3GBA1GLB1
SCHEMBL28114318 0.98 S1PR1 (0.42) CXCR4S1PR1S1PR3GBA1GLB1
SCHEMBL11648543 0.98 S1PR1 (0.42) CXCR4S1PR1S1PR3GBA1GLB1
SCHEMBL15155327 0.98 S1PR1 (0.42) CXCR4S1PR1S1PR3GBA1GLB1
SCHEMBL17344117 0.98 CXCR4 (0.45) CXCR4S1PR1S1PR3GBA1GLB1
SCHEMBL10797222 0.98 S1PR1 (0.42) CXCR4S1PR1S1PR3GBA1GLB1
SCHEMBL8200564 0.96 CXCR4 (0.44) CXCR4S1PR1S1PR3GBA1GLB1
SCHEMBL9187514 0.96 CXCR4 (0.44) CXCR4S1PR1S1PR3GBA1GLB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273883-B2 Method for producing optically active 2-arylpiperazine derivative KANEKA CORPORATION (JP) 2012-09-25 — — US claimed
US-20100087643-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-ARYLPIPERAZINE DERIVATIVE KANEKA CORPORATION (JP) 2010-04-08 — — US claimed
EP-2119709-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-ARYLPIPERAZINE DERIVATIVE Kaneka Corporation (JP) 2009-11-18 — — EP claimed
US-4166180-A 2-ARYLPIPERAZINE DERIVATIVES AND THE PREPARATION THEREOF HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1979-08-28 — — US claimed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 — — CN disclosed
US-8623873-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2014-01-07 — — US disclosed
EP-1819684-B1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS INTERVET INT BV (NL) 2013-08-07 — — EP disclosed
US-8492394-B2 (3-aryl-piperazin-1-yl), (2-aryl-morpholin-4-yl) and (2-aryl-thiomorpholin-4-yl) derivatives of 6,7-dialkoxy-quinazoline, 6,7-dialkoxyphtalazine and 6,7-dialkoxyisoquinoline as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2013-07-23 — — US disclosed
US-20130072468-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS GILBERT ERIC J (US) 2013-03-21 — — US disclosed
EP-2548874-A2 Substituted piperazines as CB1 antagonists Intervet International B.V. (NL) 2013-01-23 — — EP disclosed
US-8273883-B2 Method for producing optically active 2-arylpiperazine derivative KANEKA CORPORATION (JP) 2012-09-25 — — US disclosed
US-8273883-B2 Method for producing optically active 2-arylpiperazine derivative KANEKA CORPORATION (JP) 2012-09-25 — — US disclosed
EP-0198192-A1 7-Amino-1-(subst.cyclopropyl)-1,4 -dihydro-4-oxo-quinoline carboxylic acids, method for their preparation, and antibacterial agents containing them BAYER AG (DE) 1986-10-22 — — EP disclosed
US-4599334-A 7-(3-aryl-1-piperazinyl)- and 7-(3-cyclohexyl-1-piperazinyl)-3-quinolonecarboxylic acid antibacterials BAYER AKTIENGESELLSCHAFT (DE) 1986-07-08 — — US disclosed
EP-0169993-A2 7-(3-Aryl-1-piperazinyl) and 7-(3-cyclohexyl-1-piperazinyl) 3-quinoline carboxylic acids BAYER AG (DE) 1986-02-05 — — EP disclosed
EP-0167763-A1 7-Amino-1-cyclopropyl-6,8-dihalo-1,4-dihydro-4-oxo-3-quinoline-carboxylic acids, process for their preparation and bactericidal agents containing them BAYER AG (DE) 1986-01-15 — — EP disclosed
EP-0164619-A1 2,4,5-Trihalo or 2,3,4,5-tetrahalo benzene derivatives and process for producing them BAYER AG (DE) 1985-12-18 — — EP disclosed
US-4321061-A Motor fuel PHILLIPS PETROLEUM COMPANY (US) 1982-03-23 — — US disclosed
US-4166180-A 2-ARYLPIPERAZINE DERIVATIVES AND THE PREPARATION THEREOF HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1979-08-28 — — US disclosed
US-4166180-A 2-ARYLPIPERAZINE DERIVATIVES AND THE PREPARATION THEREOF HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1979-08-28 — — 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-20100087643-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-ARYLPIPERAZINE DERIVATIVE CYP2W1, AGPS, DHPS CXCR4 4748/4885S1PR1 3743/4885S1PR3 3445/4885
US-20130072468-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS CNR1, CNR2, GPR119 CXCR4 1527/4885S1PR1 227/4885S1PR3 386/4885

“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.