SCHEMBL28080853

SCHEMBL28080853

CCCCCCc1cccn1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.48
▸ TBXAS1 P24557 1/20 0.46
▸ CNR2 P34972 1/20 0.43
▸ KCNH2 Q12809 2/20 0.42
▸ GPR84 Q9NQS5 1/20 0.41
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NPC1 O15118 5/20 0.39
▸ RAB9A P51151 5/20 0.39
▸ HTT P42858 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ GALR3 O60755 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ ATM Q13315 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ LIPG Q9Y5X9 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39

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
SCHEMBL20937700 1.00 CYP2D6 (0.48) CYP2D6TBXAS1CNR2KCNH2GPR84
SCHEMBL11898919 1.00 CYP2D6 (0.48) CYP2D6TBXAS1CNR2KCNH2GPR84
Hydrochloric Acid SCHEMBL11899838 0.98 CYP2D6 (0.47) CYP2D6TBXAS1CNR2KCNH2GPR84
SCHEMBL7544246 0.98 CYP2D6 (0.45) CYP2D6TBXAS1CNR2KCNH2GPR84
SCHEMBL11900019 0.92 CYP2D6 (0.42) CYP2D6TBXAS1CNR2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL11898482 0.90 CYP2D6 (0.45) CYP2D6TBXAS1CNR2CYP3A4CYP2C19
Bromide SCHEMBL28799569 0.90 CYP2D6 (0.41) CYP2D6TBXAS1CNR2CYP3A4CYP2C19
Fluoride SCHEMBL30330792 0.90 CYP2D6 (0.41) CYP2D6TBXAS1CNR2CYP3A4CYP2C19
SCHEMBL27966926 0.85 TAAR1 (0.39) CYP2D6TBXAS1CNR2CYP3A4CYP2C19
SCHEMBL7072643 0.83 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104073901-B The application in polyurethane composite fibre of the nitrogen containing plasma liquid 杭州师范大学 2017-01-04 — — CN claimed
US-11702398-B2 Photoresponsive low-molecular weight material, adhesive, toner, and image forming method Konica Minolta, Inc. (JP) 2023-07-18 — — US disclosed
CN-103833621-B Pyrrole ionic liquid and its preparation method and application 海洋王照明科技股份有限公司 2016-08-03 — — 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-11702398-B2 Photoresponsive low-molecular weight material, adhesive, toner, and image forming method ICAM1, CDH1, ACTR5 CYP2D6 4847/4885TBXAS1 436/4885CNR2 1492/4885

“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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