SCHEMBL22490153

SCHEMBL22490153

CCCCCCCC(CCCCCCC)NC1CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
GNAI3 P08754 2/20 0.36
GNAO1 P09471 2/20 0.36
GNAI1 P63096 2/20 0.36
METAP1 P53582 1/20 0.36
EPHX1 P07099 1/20 0.36
DNM1 Q05193 1/20 0.36
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35
PLA2G2C Q5R387 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL19710928 1.00 LMNA (0.37) LMNAGNAI3GNAO1GNAI1METAP1
SCHEMBL22355901 0.92 SIGMAR1 (0.42) EPHX1
SCHEMBL22355889 0.92 EPHX1 (0.42) EPHX1
SCHEMBL20747001 0.92 SIGMAR1 (0.42) EPHX1
SCHEMBL20794160 0.92 EPHX1 (0.42) EPHX1
SCHEMBL19605637 0.91 MERTK (0.36) LMNAMETAP1PLA2G2C
SCHEMBL24704673 0.90 SIGMAR1 (0.45) EPHX1TSHR
SCHEMBL11858592 0.90 SIGMAR1 (0.45) EPHX1TSHR
SCHEMBL24704621 0.90 SIGMAR1 (0.45) EPHX1TSHR
SCHEMBL19245329 0.90 SIGMAR1 (0.45) EPHX1TSHR

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-10947196-B2 Beta adrenergic agonist and methods of using the same CURASEN THERAPEUTICS, INC. (US) 2021-03-16 US disclosed
US-20200308115-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. 2020-10-01 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-20200308115-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME ADRB2, ADRB1, ADRA2C LMNA 1389/4885GNAI3 442/4885GNAO1 215/4885
US-10947196-B2 Beta adrenergic agonist and methods of using the same ADRB2, ADRB1, ADRA2C LMNA 1389/4885GNAI3 442/4885GNAO1 215/4885

“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.