SCHEMBL6031383

SCHEMBL6031383

FC(F)(F)c1cccc(C2CNCCN2Cc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.49
SLC6A4 P31645 1/20 0.49
HTR1A P08908 1/20 0.46
NR1H2 P55055 3/20 0.46
NR1H3 Q13133 3/20 0.46
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HTR2C P28335 3/20 0.45
IDE P14735 1/20 0.43
UBE2N P61088 1/20 0.43
THRB P10828 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR1D P28221 1/20 0.42
HTR3A P46098 1/20 0.42

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
SCHEMBL11383597 0.84 HTR1A (0.47) MITFSLC6A4HTR1AMAPTHTR2C
SCHEMBL1579802 0.83 SIGMAR1 (0.50) MITFSLC6A4NR1H2NR1H3MEN1
SCHEMBL11464906 0.82 HTR1A (0.47) MITFHTR1AMAPTHTR2CIDE
SCHEMBL21105516 0.78 RORC (0.46) MITFSLC6A4SIGMAR1
SCHEMBL16644677 0.78 RORC (0.46) MITFSLC6A4SIGMAR1
SCHEMBL31612476 0.76 SIGMAR1 (0.45) MITFSLC6A4MEN1KMT2AALDH1A1
SCHEMBL11706639 0.76 MEN1 (0.48) SLC6A4MEN1KMT2AALDH1A1SIGMAR1
Hydrochloric Acid SCHEMBL27831417 0.76 ALDH1A1 (0.49) MITFSLC6A4MAPTLMNASMN1; SMN2
SCHEMBL27831282 0.75 ALDH1A1 (0.48) MITFSLC6A4MAPTLMNASMN1; SMN2
SCHEMBL17505008 0.74 NR1H2 (0.55) NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7101887-B2 1-phenyl-4-benzylpiperazines dopamine receptor subtype specific ligands NEUROGEN CORPORATION (US) 2006-09-05 US disclosed
US-20050239799-A1 1-phenyl-4-benzylpiperazines dopamine receptor subtype NEUROGEN CORPORATION (US) 2005-10-27 US disclosed
EP-0960106-B1 1-PHENYL-4-BENZYLPIPERAZINES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS (D4) NEUROGEN CORP (US) 2004-05-06 EP disclosed
US-20040083447-A1 1-Phenyl-4-benzylpiperazines dopamine receptor subtype specific ligands NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE 2004-04-29 US disclosed
US-6656943-B2 In the treatment or prevention of psychotic disorders such as schizophrenia psychotic depression, mania and other central nervous system diseases NEUROGEN CORPORATION 2003-12-02 US disclosed
US-20030119851-A1 1-phenyl-4-benzylpiperazines dopamine receptor subtype specific ligands NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE 2003-06-26 US disclosed
US-6426347-B2 FOR PREVENTION OF PSYCHOTIC DISORDERS SUCH AS SCHIZOPHRENIA AND OTHER CENTRAL NERVOUS SYSTEM DISEASES NEUROGEN CORPORATION 2002-07-30 US disclosed
US-20020007064-A1 1-Phenyl-4-benzylpiperazines dopamine receptor subtype specific ligands THURKAUF ANDREW (US) 2002-01-17 US disclosed
US-6172229-B1 PSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION 2001-01-09 US disclosed
EP-0960106-A1 1-PHENYL-4-BENZYLPIPERAZINES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS (D4) NEUROGEN CORPORATION (US) 1999-12-01 EP disclosed
US-5859246-A TREATING NEUROPSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION (US) 1999-01-12 US disclosed
WO-1998033784-A1 1-PHENYL-4-BENZYLPIPERAZINES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS (D4) NEUROGEN CORPORATION (US) 1998-08-06 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 (3 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-20050239799-A1 1-phenyl-4-benzylpiperazines dopamine receptor subtype DRD2, DRD4, HTR2C MITF 1158/4885SLC6A4 94/4885HTR1A 6/4885
US-20020007064-A1 1-Phenyl-4-benzylpiperazines dopamine receptor subtype specific ligands HTR2C, GRIN2C, HTR1A MITF 1246/4885SLC6A4 117/4885HTR1A 3/4885
US-20030119851-A1 1-phenyl-4-benzylpiperazines dopamine receptor subtype specific ligands HTR2C, GRIN2C, HTR1A MITF 1246/4885SLC6A4 117/4885HTR1A 3/4885

“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.