SCHEMBL23074673

SCHEMBL23074673

c1cncc(OCCNC2CCCCCCCCCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 5/20 0.57
▸ CHRNA4 P43681 5/20 0.57
▸ KDM4E B2RXH2 6/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ ALDH1A1 P00352 5/20 0.51
▸ PKM P14618 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.50
▸ CHRNA3 P32297 2/20 0.47
▸ CHRNA7 P36544 2/20 0.47
▸ CHRNA1 P02708 1/20 0.47
▸ CHRNG P07510 1/20 0.47
▸ CHRNB1 P11230 1/20 0.47
▸ CHRNB4 P30926 1/20 0.47
▸ CHRND Q07001 1/20 0.47
▸ CSF1R P07333 1/20 0.47

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
SCHEMBL7102389 0.88 CHRNB2 (0.60) CHRNB2CHRNA4KDM4EALDH1A1CHRNA3
SCHEMBL2352175 0.82 KDM4E (0.69) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL12204135 0.77 ALDH1A1 (0.70) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL23074698 0.77 ALDH1A1 (0.70) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL23067927 0.76 CHRNB2 (0.74) CHRNB2CHRNA4
SCHEMBL30756757 0.76 CHRNB2 (0.74) CHRNB2CHRNA4
SCHEMBL23074716 0.74 CHRNB2 (0.58) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
SCHEMBL29045832 0.74 KDM4E (0.63) CHRNB2CHRNA4KDM4ECYP1A2CYP2D6
SCHEMBL4705275 0.74 ALDH1A1 (0.46) CHRNB2CHRNA4KDM4EALDH1A1PKM
SCHEMBL28049595 0.74 CHRNB2 (0.60) CHRNB2CHRNA4CYP2D6CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210069692-A1 ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE CHROMATOGRAPHY RESINS BIO-RAD LABORATORIES, INC. 2021-03-11 — — 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-20210069692-A1 ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE CHROMATOGRAPHY RESINS ABCG2, SLC7A1, MSR1 CHRNB2 2691/4885CHRNA4 2081/4885KDM4E 3830/4885

“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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