SCHEMBL4612938

SCHEMBL4612938

O=C1Nc2ccc(F)cc2C1CCCCN1CCN(c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 17/20 1.00
DRD2 P14416 4/20 1.00
HTR2A P28223 3/20 1.00
DRD1 P21728 2/20 1.00
HTR2C P28335 2/20 1.00
ADRA1A P35348 2/20 1.00
HTR6 P50406 2/20 1.00
HTR1A P08908 2/20 0.72
DRD3 P35462 2/20 0.53
DRD4 P21917 1/20 0.53
HRH1 P35367 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL4613162 0.94 HTR7 (1.00) HTR7DRD2HTR2ADRD1HTR2C
Hydrochloric Acid SCHEMBL4611865 0.89 HTR7 (0.98) HTR7DRD2HTR2ADRD1HTR2C
Hydrochloric Acid SCHEMBL4612274 0.89 HTR7 (0.98) HTR7DRD2HTR2ADRD1HTR2C
SCHEMBL4612355 0.88 HTR7 (1.00) HTR7DRD2HTR2ADRD1HTR2C
SCHEMBL4612142 0.88 HTR7 (1.00) HTR7DRD2HTR2ADRD1HTR2C
SCHEMBL1456230 0.87 HTR7 (0.81) HTR7DRD2HTR2ADRD1HTR2C
SCHEMBL4612021 0.86 HTR7 (0.82) HTR7DRD2HTR2ADRD1HTR2C
Oxalic Acid SCHEMBL4614074 0.85 HTR7 (0.75) HTR7DRD2HTR2ADRD1HTR2C
Hydrochloric Acid SCHEMBL4613466 0.85 HTR7 (0.86) HTR7DRD2HTR2ADRD1HTR2C
SCHEMBL1456479 0.85 HTR7 (0.88) HTR7DRD2HTR2ADRD1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751106-B1 PIPERAZINE DERIVATIVES OF ALKYL OXINDOLES EGIS GYOGYSZERGYAR NYRT (HU) 2008-10-29 EP disclosed
CN-101061094-A Piperazine derivatives for alkyloxindoles EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2007-10-24 CN disclosed
US-20070219209-A1 Piperazine Derivatives Of Alkyl Oxindoles GYÓGYSZERGYÁR RT. (HU) 2007-09-20 US disclosed
EP-1751106-A1 PIPERAZINE DERIVATIVES OF ALKYL OXINDOLES EGIS Gyógyszergyár Nyrt (HU) 2007-02-14 EP disclosed
WO-2005108363-A1 PIPERAZINE DERIVATIVES OF ALKYL OXINDOLES EGIS GYÓGYSZERGYÁR NYRT. (HU) 2005-11-17 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-20070219209-A1 Piperazine Derivatives Of Alkyl Oxindoles TPH2, TPH1, HTR2C HTR7 30/4885DRD2 25/4885HTR2A 4/4885

“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.