SCHEMBL18968945

SCHEMBL18968945

CC1(C)c2cccc3c2-c2c1cccc2C3(c1ccccc1)c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3c(c2)oc2ccccc23)cc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRNB4 P30926 2/20 0.33
▸ CHRNA3 P32297 2/20 0.33
▸ CHRNA1 P02708 1/20 0.33
▸ CHRNG P07510 1/20 0.33
▸ CHRNB1 P11230 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ CHRND Q07001 1/20 0.33
▸ MCL1 Q07820 1/20 0.30
▸ ACMSD Q8TDX5 1/20 0.30
▸ ENPP3 O14638 1/20 0.30
▸ ENPP1 P22413 1/20 0.30
▸ CHRNA7 P36544 1/20 0.30

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
SCHEMBL18968989 0.95 CHRNA1 (0.35) CHRNB4CHRNA3CHRNA1CHRNGCHRNB1
SCHEMBL18968991 0.90 AHR (0.32) —
SCHEMBL18968992 0.89 MCL1 (0.33) CHRNB4CHRNA3CHRNA1CHRNGCHRNB1
SCHEMBL18968977 0.89 AHR (0.33) —
SCHEMBL18968995 0.89 DUSP3 (0.31) —
SCHEMBL18968938 0.88 CHRNB4 (0.36) CHRNB4CHRNA3CHRNA1CHRNGCHRNB1
SCHEMBL18326969 0.88 MCL1 (0.31) MCL1ACMSD
SCHEMBL18969070 0.88 TDP1 (0.32) CHRNB4CHRNA3CHRNA1CHRNGCHRNB1
SCHEMBL18968950 0.87 CA12 (0.36) CHRNB4CHRNA3CHRNA1CHRNGCHRNB1
SCHEMBL18969107 0.87 AHR (0.30) —

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
US-10361374-B2 Amine compound and organic light emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2019-07-23 — — US disclosed
US-20170170402-A1 AMINE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-15 — — US disclosed
US-20170170402-A1 AMINE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-15 — — 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 (2 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-20170170402-A1 AMINE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME AOC2, MAOA, AOC3 CHRNB4 2472/4885CHRNA3 2217/4885CHRNA1 864/4885
US-10361374-B2 Amine compound and organic light emitting device including the same AOC2, MAOA, AOC3 CHRNB4 2472/4885CHRNA3 2217/4885CHRNA1 864/4885

“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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