SCHEMBL22122330

SCHEMBL22122330

CCn1cc(CC(C)CO)c2cc(Br)ccc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ CYP19A1 P11511 7/20 0.40
▸ CYP2C19 P33261 1/20 0.39
▸ ABCC2 Q92887 1/20 0.38
▸ DNM1 Q05193 3/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ SCN9A Q15858 2/20 0.36
▸ TBXAS1 P24557 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL22122577 0.85 SMN1; SMN2 (0.45) LMNASMN1; SMN2DNM1MAPTCNR1
SCHEMBL22152236 0.81 CNR2 (0.44) SMN1; SMN2ABCC2DNM1MAPTCNR1
SCHEMBL22122374 0.79 LMNA (0.58) LMNASMN1; SMN2CYP19A1CNR1CNR2
SCHEMBL22122231 0.75 SMN1; SMN2 (0.39) SMN1; SMN2DNM1MAPTSCN9AGAA
SCHEMBL24144136 0.75 CYP19A1 (0.44) LMNASMN1; SMN2CYP19A1HTR6CNR1
SCHEMBL13152593 0.73 LMNA (0.50) LMNASMN1; SMN2CYP19A1CYP2C19ABCC2
SCHEMBL19626268 0.73 LMNA (0.50) LMNASMN1; SMN2CYP19A1CYP2C19ABCC2
SCHEMBL31323947 0.70 LMNA (0.64) LMNACNR1CNR2
SCHEMBL25742101 0.69 LMNA (0.56) LMNASMN1; SMN2CYP19A1CYP2C19CNR1
SCHEMBL24144137 0.69 NR1D1 (0.46) SMN1; SMN2HTR6CNR1CNR2TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240139185-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2024-05-02 — — US disclosed
EP-3897644-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2021-10-27 — — EP disclosed
CN-113498342-A Compounds involved in synergistic binding and uses thereof 锐新医药公司 2021-10-12 — — CN disclosed
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. 2020-06-25 — — US disclosed
WO-2020132597-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2020-06-25 — — WO 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-20240139185-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF KRAS, NRAS, HRAS LMNA 4074/4885SMN1; SMN2 4348/4885CYP19A1 4163/4885
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF KRAS, NRAS, HRAS LMNA 4074/4885SMN1; SMN2 4348/4885CYP19A1 4163/4885

“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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