SCHEMBL4252269

SCHEMBL4252269

CC[C@@H]1CN(c2cccc(OC)c2)CCN1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.58
DRD2 P14416 1/20 0.50
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
KCNH2 Q12809 2/20 0.47
MAPT P10636 4/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 1/20 0.43
PRKCQ Q04759 1/20 0.43
PRKCD Q05655 1/20 0.43
HTR2C P28335 1/20 0.42
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL4252272 1.00 ADRB1 (0.58) ADRB1DRD2MTNR1AMTNR1BKCNH2
SCHEMBL2250414 0.83 ADRB1 (0.65) ADRB1DRD2MTNR1AMTNR1BKCNH2
SCHEMBL2873027 0.83 ADRB1 (0.65) ADRB1DRD2MTNR1AMTNR1BKCNH2
SCHEMBL2873025 0.83 ADRB1 (0.65) ADRB1DRD2MTNR1AMTNR1BKCNH2
SCHEMBL8534451 0.82 ADRB1 (0.55) ADRB1ALDH1A1HTR2C
SCHEMBL27520825 0.75 ADRB1 (0.55) ADRB1DRD2MTNR1AMTNR1BKCNH2
SCHEMBL379449 0.75 ADRB1 (1.00) ADRB1DRD2KCNH2MAPTNPC1
SCHEMBL7838014 0.75 ADRB1 (1.00) ADRB1DRD2KCNH2MAPTNPC1
SCHEMBL28984332 0.74 DRD2 (0.51) ADRB1DRD2MTNR1AMTNR1BKCNH2
Hydrochloric Acid SCHEMBL8340614 0.74 DRD2 (0.54) ADRB1DRD2SMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036455-A1 ARYLPIPERAZINE DERIVATIVE AND USE THEREOF AS 5-HT1A RECEPTOR LIGANDS CEPA SCHWARZ PHARMA, S.L. (ES) 2009-02-05 US disclosed
CN-101087610-A Arylpiperazine derivatives and their use as 5-HT1AUse of receptor ligands SCHWARZ PHARMA S L (ES) 2007-12-12 CN 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-20090036455-A1 ARYLPIPERAZINE DERIVATIVE AND USE THEREOF AS 5-HT1A RECEPTOR LIGANDS HTR1A, HTR5A, HTR2C ADRB1 61/4885DRD2 214/4885MTNR1A 32/4885

“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.