SCHEMBL25833191

SCHEMBL25833191

Cc1noc2c(C(C)C)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
GABRA1 P14867 3/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRB2 P47870 2/20 0.38
FAAH O00519 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
GABRB1 P18505 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
HTR2B P41595 1/20 0.38
GABRA2 P47869 1/20 0.38

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
SCHEMBL12913580 0.81 GABRA1 (0.38) LMNAGABRA1GABRG2GABRB3GABRB2
SCHEMBL4569782 0.80 GABRA1 (0.37) LMNAGABRA1GABRG2GABRB3GABRB2
SCHEMBL10216188 0.79 KCNA3 (0.36) LMNASLC6A2HTR2BKCNA3GAA
SCHEMBL25592030 0.77 SMN1; SMN2 (0.41) LMNAGABRA1GABRG2GABRB3GABRB2
SCHEMBL8404486 0.76 SMN1; SMN2 (0.53) LMNACYP1A2CYP3A4SMN1; SMN2BRD4
SCHEMBL10216193 0.74 PPARD (0.36)
SCHEMBL25045603 0.73 SMN1; SMN2 (0.36) LMNACYP1A2CYP3A4SMN1; SMN2BRD4
SCHEMBL20870710 0.73 BRD4 (0.37) LMNACYP1A2CYP3A4SMN1; SMN2BRD4
SCHEMBL20870713 0.73 LMNA (0.47) LMNACYP1A2TSHRBRD4
SCHEMBL4119067 0.73 EDNRA (0.42) CYP1A2HPGDTSHRSMN1; SMN2KCNA3

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-20230219947-A1 INHIBITORS OF AV ß6 INTEGRIN MORPHIC THERAPEUTIC, INC. 2023-07-13 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-20230219947-A1 INHIBITORS OF AV ß6 INTEGRIN ITGB6, ITGA6, GP6 LMNA 3166/4885GABRA1 1308/4885GABRG2 1141/4885

“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.