SCHEMBL4640394

SCHEMBL4640394

NCC1CN(Cc2ccccc2)CC1CN

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.56
GBA1 P04062 1/20 0.56
SIGMAR1 Q99720 1/20 0.54
RORC P51449 1/20 0.50
S1PR1 P21453 1/20 0.49
S1PR5 Q9H228 1/20 0.49
CCR5 P51681 1/20 0.48
ACHE P22303 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CCR3 P51677 1/20 0.46

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
SCHEMBL4640392 1.00 FUCA1 (0.56) FUCA1GBA1SIGMAR1RORCS1PR1
SCHEMBL4640399 1.00 FUCA1 (0.56) FUCA1GBA1SIGMAR1RORCS1PR1
SCHEMBL3272623 0.91 GBA1 (0.65) FUCA1GBA1SIGMAR1RORCS1PR1
SCHEMBL13382323 0.91 GBA1 (0.65) FUCA1GBA1SIGMAR1RORCS1PR1
SCHEMBL10695886 0.89 FUCA1 (0.50) FUCA1GBA1SIGMAR1RORCS1PR1
SCHEMBL500306 0.88 GBA1 (0.49) FUCA1GBA1SIGMAR1RORCS1PR1
SCHEMBL4506217 0.88 GBA1 (0.49) FUCA1GBA1SIGMAR1RORCS1PR1
SCHEMBL500305 0.88 GBA1 (0.49) FUCA1GBA1SIGMAR1RORCS1PR1
SCHEMBL500304 0.88 GBA1 (0.49) FUCA1GBA1SIGMAR1RORCS1PR1
SCHEMBL500415 0.88 GBA1 (0.49) FUCA1GBA1SIGMAR1RORCS1PR1

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-0934924-B1 NOVEL DIAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2008-08-13 EP disclosed
US-6576642-B2 Inhibitors of the production of Ig E antibodies, antiallergens KOWA CO., LTD. (JP) 2003-06-10 US disclosed
US-20010039279-A1 Diamide compounds and compositions containing the same KOWA CO., LTD. (JP) 2001-11-08 US disclosed
US-6297283-B1 EXCELLENT INHIBITORY EFFECT ON THE PRODUCTION OF AN IGE ANTIBODY AND ARE HENCE USEFUL AS ANTIALLERGIC AGENTS KOWA CO., LTD. (JP) 2001-10-02 US disclosed
EP-0934924-A1 NOVEL DIAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO. LTD. (JP) 1999-08-11 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-20010039279-A1 Diamide compounds and compositions containing the same HRH4, HRH2, HRH1 FUCA1 4245/4885GBA1 3149/4885SIGMAR1 1503/4885

“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.