SCHEMBL17034857

SCHEMBL17034857

CN1CCN(c2nc3ccccc3c3c2ccc2ccccc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 2/20 0.68
▸ HTR3B O95264 2/20 0.68
▸ HTR3A P46098 2/20 0.68
▸ HTR3D Q70Z44 2/20 0.68
▸ HTR3C Q8WXA8 2/20 0.68
▸ HRH4 Q9H3N8 4/20 0.59
▸ HTR6 P50406 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57

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
SCHEMBL4085081 0.75 HTR3E (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5320912 0.75 HTR3B (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13125713 0.75 HRH4 (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16415881 0.74 HTR6 (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6125247 0.74 TSHR (0.84) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL11740107 0.74 HTR3B (0.68) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27866870 0.72 HTR3E (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL12409869 0.72 HRH4 (0.63) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL14136367 0.71 TLR7 (0.76) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL605232 0.71 HRH4 (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C

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-9871208-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-16 — — US disclosed
US-9871208-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-16 — — US disclosed
US-20150243908-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-27 — — US disclosed
US-20150243908-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-27 — — US 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-20150243908-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 HTR3E 3230/4885HTR3B 4037/4885HTR3A 3526/4885

“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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