SCHEMBL29469522

SCHEMBL29469522

OCCOc1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.62
CHRNA4 P43681 7/20 0.62
ALDH1A1 P00352 1/20 0.57
RECQL P46063 1/20 0.57
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP19A1 P11511 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.48
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
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 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
SCHEMBL238711 1.00 CHRNB2 (0.62) CHRNB2CHRNA4ALDH1A1RECQLCYP3A4
SCHEMBL4490297 0.90 CHRNB2 (0.61) CHRNB2CHRNA4CYP3A4CYP2D6CYP19A1
SCHEMBL29469519 0.89 CHRNB2 (0.56) CHRNB2CHRNA4ALDH1A1RECQLCYP3A4
SCHEMBL12568183 0.89 CHRNB2 (0.56) CHRNB2CHRNA4ALDH1A1RECQLCYP3A4
SCHEMBL30461625 0.84 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
SCHEMBL19875367 0.84 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
SCHEMBL15429530 0.84 CHRNB2 (0.50) CHRNB2CHRNA4KMT2A
SCHEMBL3220953 0.83
SCHEMBL5749788 0.83 CYP19A1 (0.53) CHRNB2CHRNA4ALDH1A1RECQLCYP3A4
SCHEMBL5751218 0.82 CYP19A1 (0.73) ALDH1A1RECQLCYP3A4CYP2D6CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12109263-B2 Integrin agonists or activating compounds and methods for making and using same 7 HILLS PHARMA INC. 2024-10-08 US disclosed
US-20220118086-A1 INTEGRIN AGONISTS OR ACTIVATING COMPOUNDS AND METHODS FOR MAKING AND USING SAME 7 Hills Pharma LLC (US) 2022-04-21 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-20220118086-A1 INTEGRIN AGONISTS OR ACTIVATING COMPOUNDS AND METHODS FOR MAKING AND USING SAME ICOS, CD47, CD274 CHRNB2 535/4885CHRNA4 504/4885ALDH1A1 398/4885
US-12109263-B2 Integrin agonists or activating compounds and methods for making and using same ICOS, CD47, CD274 CHRNB2 535/4885CHRNA4 504/4885ALDH1A1 398/4885

“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.