SCHEMBL7220032

SCHEMBL7220032

C1=NCC(c2ccccc2)N=C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.37
MAOB P27338 8/20 0.37
MAOA P21397 7/20 0.37
KDM1A O60341 5/20 0.37
CYP2C19 P33261 4/20 0.37
CYP2B6 P20813 3/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2D6 P10635 3/20 0.37
CYP2C9 P11712 2/20 0.37
LMNA P02545 2/20 0.37
KCNH2 Q12809 2/20 0.37
CYP3A4 P08684 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CYP2A6 P11509 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL14467181 0.71 TDP1 (0.56) LMNAHSD17B10BLMNPC1
SCHEMBL10784842 0.71
SCHEMBL2049798 0.68 TAAR1 (0.36) TAAR1MAOBMAOAKDM1ACYP2C19
SCHEMBL12215973 0.66 TSHR (0.36) TAAR1MAOBMAOAKDM1ACYP2C19
SCHEMBL13744051 0.65 NOS3 (0.36) TAAR1MAOBMAOAKDM1ACYP2C19
SCHEMBL4192460 0.64 NOS3 (0.35) TAAR1MAOBMAOAKDM1ACYP2C19
SCHEMBL4192456 0.64 NOS2 (0.35) TAAR1MAOBMAOAKDM1ACYP2C19
SCHEMBL6311085 0.64 NOS1 (0.45) TAAR1MAOBMAOAKDM1ACYP2C19
SCHEMBL6268220 0.64 MAOB (0.50) TAAR1MAOBMAOAKDM1ACYP2C19
SCHEMBL11292416 0.64 NOS1 (0.45) TAAR1MAOBMAOAKDM1ACYP2C19

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0211746-B1 PHENYL-PIPERAZINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THERAPEUTICAL USE LABORATOIRE L. LAFON Société anonyme dite: (FR) 1990-05-23 EP claimed
EP-0211746-A1 Phenyl-piperazine derivatives, process for their preparation and therapeutical use LABORATOIRE L. LAFON Société anonyme dite: (FR) 1987-02-25 EP claimed
US-6603003-B2 Reacting ester with substituted or unsubstituted ethylenediamine to give 3,4-dehydropiperazine-2-one and reacting 3,4-dehydropiperazine-2-one with reducing agent to yield piperazine derivative SUN PHARMACEUTICAL INDUSTRIES LTD (IN) 2003-08-05 US disclosed
EP-1202738-A4 DIHYDROPYRAZINE DERIVATIVES AS NPY ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2002-08-14 EP disclosed
US-20020095038-A1 Novel method for the preparation of piperazine and its derivatives SUN PHARMACEUTICAL INDUSTRIES LTD (IN) 2002-07-18 US disclosed
WO-2002038552-A1 A NOVEL METHOD FOR THE PREPARATION OF PIPERAZINE AND ITS DERIVATIVES SUN PHARMACEUTICAL INDUSTRIES LTD. (IN) 2002-05-16 WO disclosed
EP-1202738-A1 DIHYDROPYRAZINE DERIVATIVES AS NPY ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-05-08 EP disclosed
US-6177429-B1 SELECTIVE NEUROPEPTIDE Y (NPY) RECEPTOR ANTAGONISTS FOR PROMOTING WEIGHT LOSS AND TREATMENT OF EATING DISORDERS; ANOREXIGENIC AGENTS BRISTOL-MYERS SQUIBB COMPANY 2001-01-23 US disclosed
WO-2000078319-A1 DIHYDROPYRAZINE DERIVATIVES AS NPY ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-12-28 WO disclosed
EP-0211746-B1 PHENYL-PIPERAZINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THERAPEUTICAL USE LABORATOIRE L. LAFON Société anonyme dite: (FR) 1990-05-23 EP disclosed
EP-0211746-B1 PHENYL-PIPERAZINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THERAPEUTICAL USE LABORATOIRE L. LAFON Société anonyme dite: (FR) 1990-05-23 EP disclosed
US-4912110-A Antidepressive substituted phenylpiperazine compounds LABORATOIRE L. LAFTON (FR) 1990-03-27 US disclosed
EP-0211746-A1 Phenyl-piperazine derivatives, process for their preparation and therapeutical use LABORATOIRE L. LAFON Société anonyme dite: (FR) 1987-02-25 EP 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-20020095038-A1 Novel method for the preparation of piperazine and its derivatives DHPS, DRD4, CYP2E1 TAAR1 496/4885MAOB 296/4885MAOA 666/4885

“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.