SCHEMBL5573099

SCHEMBL5573099

c1ccc(CN2CCN(c3ccc(N4CCNCC4)cc3)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.74
SIGMAR1 Q99720 4/20 0.71
HTR3E A5X5Y0 2/20 0.61
HTR3B O95264 2/20 0.61
ADRB1 P08588 2/20 0.61
HTR3A P46098 2/20 0.61
HTR3D Q70Z44 2/20 0.61
HTR3C Q8WXA8 2/20 0.61
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
HTR2B P41595 1/20 0.56
CETP P11597 1/20 0.56
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP2C9 P11712 1/20 0.55
TSHR P16473 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 1/20 0.55
HIF1A Q16665 1/20 0.55
DRD2 P14416 2/20 0.55

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
Phenylpiperazine SCHEMBL10745401 0.92 SIGMAR1 (0.79) DRD4SIGMAR1HTR3EHTR3BADRB1
SCHEMBL20215708 0.87 HTR1A (0.66) DRD4SIGMAR1DRD2
SCHEMBL8145866 0.86 SIGMAR1 (0.96) DRD4SIGMAR1MEN1ALDH1A1CYP2C9
SCHEMBL6031812 0.86 DRD4 (1.00) DRD4SIGMAR1ALDH1A1DRD2DRD3
SCHEMBL7573306 0.86 SIGMAR1 (0.96) DRD4SIGMAR1MEN1ALDH1A1CYP2C9
SCHEMBL9538814 0.84 SIGMAR1 (0.92) DRD4SIGMAR1MEN1ALDH1A1CYP2C9
SCHEMBL83548 0.84 SIGMAR1 (1.00) DRD4SIGMAR1MEN1ALDH1A1CYP2C9
SCHEMBL6138636 0.84 SIGMAR1 (1.00) DRD4SIGMAR1MEN1ALDH1A1CYP2C9
SCHEMBL276363 0.84 SIGMAR1 (1.00) DRD4SIGMAR1MEN1ALDH1A1CYP2C9
SCHEMBL152631 0.84 SIGMAR1 (1.00) DRD4SIGMAR1MEN1ALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1057815-B1 CYCLIC AMIDE COMPOUNDS KOWA CO (JP) 2007-09-05 EP disclosed
US-6645957-B2 Useful in preventing and treating allergic immunological diseases; treating asthma, atopic dermatitis, allergic rhinitis, inflammatory large bowel disease, contact dermatitis KOWA CO., LTD. (JP) 2003-11-11 US disclosed
CN-1114591-C cyclic amide compound KOWA CO (JP) 2003-07-16 CN disclosed
US-20030096828-A1 Cyclic amide compound KOWA CO., LTD. (JP) 2003-05-22 US disclosed
US-6448242-B1 COMPOUND HAVING A STRONG INHIBITORY EFFECT ON THE PRODUCTION OF AN IGE ANTIBODY; ANTIALLERGENS KOWA CO., LTD. (JP) 2002-09-10 US disclosed
CN-1291186-A Cyclic amide compounds KOWA CO (JP) 2001-04-11 CN disclosed
EP-1057815-A1 CYCLIC AMIDE COMPOUNDS Kowa Co., Ltd. (JP) 2000-12-06 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-20030096828-A1 Cyclic amide compound CMA1, HRH2, HRH4 DRD4 3954/4885SIGMAR1 1368/4885HTR3E 3631/4885

“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.