SCHEMBL14224740

SCHEMBL14224740

CCC(=O)N1CCN(c2cccc(OC)c2)CC1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.63
MAPT P10636 5/20 0.60
DRD2 P14416 1/20 0.59
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
ADAMTS5 Q9UNA0 1/20 0.58
TP53 P04637 1/20 0.57
LDHA P00338 1/20 0.57
ALDH1A1 P00352 2/20 0.57
RECQL P46063 1/20 0.57
MAPK1 P28482 1/20 0.57
GAA P10253 1/20 0.56
KCNH2 Q12809 1/20 0.56

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
SCHEMBL7828151 0.89 LMNA (0.63) LMNAMAPTDRD2KMT2AMEN1
SCHEMBL9579424 0.87 MAPT (0.62) LMNAMAPTDRD2KMT2AMEN1
SCHEMBL19002658 0.87 MAPT (0.57) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL21228565 0.86 ALDH1A1 (0.53) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL27739890 0.85 KMT2A (0.65) LMNAMAPTDRD2KMT2AMEN1
Hydrochloric Acid SCHEMBL27918226 0.84 KMT2A (0.63) LMNAMAPTDRD2KMT2AMEN1
SCHEMBL8321177 0.84 KMT2A (0.63) LMNAMAPTDRD2KMT2AMEN1
SCHEMBL12182367 0.84 L3MBTL1 (0.68) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL4319359 0.84 KMT2A (0.63) LMNAMAPTDRD2KMT2AMEN1
SCHEMBL19709291 0.83 ADAMTS5 (0.60) LMNAMAPTKMT2AMEN1CYP1A2

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
CN-111094300-B Benzo-heteroaryl derivative, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2022-09-16 CN disclosed
CN-111094300-A Benzo-heteroaryl derivative, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2020-05-01 CN disclosed
WO-2019149205-A1 BENZOHETEROARYL DERIVATIVE AND PREPARATION METHOD AND MEDICAL APPLICATION THEREOF 江苏恒瑞医药股份有限公司 2019-08-08 WO disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 US disclosed
US-7354919-B2 Isoxazole compositions useful as inhibitors of ERK VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-08 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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 LMNA 3509/4885MAPT 2731/4885DRD2 4852/4885

“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.