SCHEMBL6787034

SCHEMBL6787034

c1ccc(CN2CC3NCCNC3C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FUCA1 P04066 2/20 0.55
▸ SIGMAR1 Q99720 2/20 0.53
▸ S1PR1 P21453 1/20 0.47
▸ S1PR5 Q9H228 1/20 0.47
▸ GBA1 P04062 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ACHE P22303 1/20 0.46
▸ RORC P51449 1/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HIF1A Q16665 1/20 0.45

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
SCHEMBL17228295 0.84 FUCA1 (0.47) FUCA1SIGMAR1ALDH1A1ACHECYP2C19
SCHEMBL6212686 0.84 FUCA1 (0.47) FUCA1SIGMAR1ALDH1A1ACHECYP2C19
SCHEMBL9052958 0.84 FUCA1 (0.58) FUCA1SIGMAR1S1PR1S1PR5GBA1
SCHEMBL4303371 0.82 FUCA1 (0.45) FUCA1SIGMAR1ALDH1A1ACHECYP2C19
SCHEMBL1983745 0.82 FUCA1 (0.45) FUCA1SIGMAR1ALDH1A1ACHECYP2C19
SCHEMBL4304653 0.82 FUCA1 (0.45) FUCA1SIGMAR1ALDH1A1ACHECYP2C19
SCHEMBL697958 0.82 FUCA1 (0.45) FUCA1SIGMAR1ALDH1A1ACHECYP2C19
SCHEMBL1724302 0.82 FUCA1 (0.45) FUCA1SIGMAR1ALDH1A1ACHECYP2C19
SCHEMBL13992425 0.82 FUCA1 (0.45) FUCA1SIGMAR1ALDH1A1ACHECYP2C19
Hydrochloric Acid SCHEMBL2339005 0.81 FUCA1 (0.44) FUCA1SIGMAR1ALDH1A1ACHECYP2C19

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-6828316-B2 Antiallergens KOWA CO., LTD. (JP) 2004-12-07 — — US disclosed
US-20020042414-A1 Diamide compound and medicine containing the same KOWA CO., LTD. (JP) 2002-04-11 — — US disclosed
US-6340682-B1 FOR THERAPY OF ALLERGIC IMMUNOLOGICAL DISEASE IS SELECTED FROM ASTHMA, ALLERGIC RHINITIS, INFLAMMATORY LARGE BOWEL DISEASE OR CONTACT DERMATITIS KOWA CO., LTD. (JP) 2002-01-22 — — US disclosed
EP-0926138-A1 DIAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO. LTD. (JP) 1999-06-30 — — 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-20020042414-A1 Diamide compound and medicine containing the same HRH4, HRH2, HRH1 FUCA1 3710/4885SIGMAR1 2013/4885S1PR1 2989/4885

“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.

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