SCHEMBL4155014

SCHEMBL4155014

CCNC(=O)c1c(OC)cccc1OC

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.55
TSHR P16473 1/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
DRD2 P14416 1/20 0.53
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.52
POLB P06746 1/20 0.52
LMNA P02545 1/20 0.51
KDM4E B2RXH2 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50

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
SCHEMBL23162279 0.90 TAAR1 (0.52) TAAR1SMN1; SMN2TSHRCA12CA1
SCHEMBL23162288 0.88 TAAR1 (0.51) TAAR1SMN1; SMN2TSHRCA12CA1
SCHEMBL6360621 0.86 TAAR1 (0.68) TAAR1SMN1; SMN2TSHRCA12CA1
SCHEMBL27632855 0.82 TAAR1 (0.63) TAAR1SMN1; SMN2TSHRCA12CA1
SCHEMBL27842201 0.81 CTSD (0.65) TAAR1SMN1; SMN2TSHRCA12CA1
SCHEMBL24186366 0.81 TAAR1 (0.57) TAAR1SMN1; SMN2TSHRCA12CA1
SCHEMBL24801414 0.81 TAAR1 (0.57) TAAR1SMN1; SMN2TSHRCA12CA1
SCHEMBL4158159 0.80 CYP3A4 (0.50) SMN1; SMN2GAALMNAKDM4EMAPT
SCHEMBL4114974 0.80 CTSD (0.69) SMN1; SMN2TSHRALDH1A1GAAPOLB
SCHEMBL24160559 0.80 ALDH1A1 (0.59) TAAR1SMN1; SMN2TSHRCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12065443-B2 Compounds and pharmaceutical compositions thereof for the treatment of diseases GALAPAGOS NV (BE) 2024-08-20 US disclosed
CN-111433200-B Compounds and pharmaceutical compositions for the treatment of diseases 加拉帕戈斯股份有限公司 2024-03-22 CN disclosed
US-20220340581-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2022-10-27 US disclosed
US-11339166-B2 Compounds and pharmaceutical compositions thereof for the treatment of diseases GALAPAGOS NV (BE) 2022-05-24 US disclosed
US-11339166-B2 Compounds and pharmaceutical compositions thereof for the treatment of diseases GALAPAGOS NV (BE) 2022-05-24 US disclosed
EP-3717471-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2022-01-05 EP disclosed
EP-3717471-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2022-01-05 EP disclosed
US-20210101903-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2021-04-08 US disclosed
US-20210101903-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2021-04-08 US disclosed
EP-3717471-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES Galapagos NV (BE) 2020-10-07 EP disclosed
CN-111433200-A Novel compounds and pharmaceutical compositions thereof for the treatment of diseases 加拉帕戈斯股份有限公司 2020-07-17 CN disclosed
CN-101489988-A Process for alkenylation of carboxamides BASF AG (DE) 2009-07-22 CN disclosed
US-20090131657-A1 PROCESS FOR ALKENYLATING CARBOXAMIDES BASF SE (DE) 2009-05-21 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 (5 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-11339166-B2 Compounds and pharmaceutical compositions thereof for the treatment of diseases F12, F3, COL1A1 TAAR1 2924/4885SMN1; SMN2 4575/4885TSHR 719/4885
US-12065443-B2 Compounds and pharmaceutical compositions thereof for the treatment of diseases F12, F3, COL1A1 TAAR1 2924/4885SMN1; SMN2 4575/4885TSHR 719/4885
US-20220340581-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES F12, F3, COL1A1 TAAR1 2924/4885SMN1; SMN2 4575/4885TSHR 719/4885
US-20210101903-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES JAK3, IFNG, IL23R TAAR1 2967/4885SMN1; SMN2 4684/4885TSHR 634/4885
US-20090131657-A1 PROCESS FOR ALKENYLATING CARBOXAMIDES PRMT5, CYC1, CBR3 TAAR1 328/4885SMN1; SMN2 448/4885TSHR 2757/4885

“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.