SCHEMBL6802605

SCHEMBL6802605

O=C(NCCN1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc2c(c1)CCNCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.56
ALDH1A1 P00352 3/20 0.53
HTR1A P08908 2/20 0.53
CACNA1G O43497 4/20 0.52
CCR3 P51677 1/20 0.52
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
KCNH2 Q12809 1/20 0.51
CD274 Q9NZQ7 1/20 0.51
MCHR1 Q99705 3/20 0.51
HTR3A P46098 3/20 0.51
BACE1 P56817 1/20 0.49
CHRM3 P20309 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP2D6 P10635 1/20 0.49
CHRM1 P11229 1/20 0.49
HTR2A P28223 1/20 0.49
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
ACHE P22303 1/20 0.48

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
Hydrochloric Acid SCHEMBL5578101 0.99 DRD4 (0.58) DRD4ALDH1A1HTR1ACACNA1GCCR3
Hydrochloric Acid SCHEMBL5578415 0.90 ACHE (0.57) DRD4HTR1ACACNA1GMCHR1CHRM3
Hydrochloric Acid SCHEMBL5578154 0.87 DRD4 (0.55) DRD4ALDH1A1HTR1ACACNA1GCCR3
SCHEMBL5578112 0.82 MCHR1 (0.73) HTR1AMCHR1HTR2AACHE
Hydrochloric Acid SCHEMBL5578270 0.81 MCHR1 (0.72) HTR1AMCHR1HTR2AACHE
Hydrochloric Acid SCHEMBL7087753 0.79 MAPK14 (0.49) DRD4CACNA1GCCR3MCHR1SMN1; SMN2
SCHEMBL9387833 0.78 ALDH1A1 (0.74) ALDH1A1HTR1AMAOAMAOBKCNH2
Hydrochloric Acid SCHEMBL5578392 0.78 ACHE (0.60) DRD4ALDH1A1HTR1ACACNA1GMCHR1
SCHEMBL5577910 0.78 MCHR2 (0.53) DRD4HTR1ACACNA1GCCR3MCHR1
SCHEMBL6806974 0.78 DRD2 (0.62) HTR1AMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063699-A1 Gpr14 antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US claimed
EP-1310490-A1 GPR14 ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2003-05-14 EP claimed
US-20040063699-A1 Gpr14 antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
EP-1310490-A1 GPR14 ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2003-05-14 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-20040063699-A1 Gpr14 antagonist GPR142, GPR139, GPR4 DRD4 857/4885ALDH1A1 2561/4885HTR1A 195/4885

“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.