SCHEMBL22767932

SCHEMBL22767932

C=C(CCCCCCNC(C)(C)C)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL21016310 1.00 HRH4 (0.38) HRH4HRH3KDM4EPOLB
SCHEMBL24770440 1.00 HRH4 (0.38) HRH4HRH3KDM4EPOLB
SCHEMBL24910867 0.91 HRH4 (0.33) HRH4HRH3KDM4EPOLB
SCHEMBL19684411 0.82
SCHEMBL22271619 0.81 EPHX1 (0.41)
SCHEMBL23943203 0.79 CYP2C19 (0.46) HRH4HRH3
SCHEMBL21534373 0.78 ADRA1A (0.34) KDM4E
SCHEMBL19451247 0.78 POLB (0.34) HRH4HRH3POLB
SCHEMBL1276622 0.76 HRH4 (0.45) HRH4HRH3KDM4EPOLB
SCHEMBL14176497 0.76 HRH4 (0.45) HRH4HRH3KDM4EPOLB

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-20220259225-A1 Maytansinoid Derivatives, Conjugates Thereof, and Methods of Use REGENERON PHARMACEUTICALS, INC. 2022-08-18 US disclosed
US-20200385402-A1 Maytansinoid Derivatives, Conjugates Thereof, and Methods of Use REGENERON PHARMACEUTICALS, INC. 2020-12-10 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-20200385402-A1 Maytansinoid Derivatives, Conjugates Thereof, and Methods of Use SLC10A1, HNMT, OGFR HRH4 717/4885HRH3 527/4885KDM4E 4593/4885
US-20220259225-A1 Maytansinoid Derivatives, Conjugates Thereof, and Methods of Use SLC10A1, HNMT, OGFR HRH4 717/4885HRH3 527/4885KDM4E 4593/4885

“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.