SCHEMBL1978575

SCHEMBL1978575

COC(=O)c1ccc(C(C)N2CCNCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 11/20 0.69
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
OGA O60502 2/20 0.46
OPRM1 P35372 3/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42

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
SCHEMBL26199219 1.00 OPRD1 (0.69) OPRD1CHRM2CHRM1SLC6A2SLC6A4
SCHEMBL20832766 0.86 SLC6A2 (0.56) OPRD1SLC6A2SLC6A4SLC6A3OGA
SCHEMBL22227819 0.86 SLC6A2 (0.56) OPRD1SLC6A2SLC6A4SLC6A3OGA
SCHEMBL26199245 0.84 MC4R (0.54) OPRD1CHRM2CHRM1SLC6A2SLC6A4
SCHEMBL25168549 0.83 OPRD1 (0.66) OPRD1CHRM2CHRM1OGAOPRM1
SCHEMBL5857482 0.83 CHRM2 (0.55) OPRD1CHRM2CHRM1OPRM1
SCHEMBL25168550 0.83 OPRD1 (0.66) OPRD1CHRM2CHRM1OGAOPRM1
SCHEMBL13267271 0.82 ALDH1A1 (0.58) OPRD1SLC6A2SLC6A4SLC6A3OGA
SCHEMBL25168575 0.82 ALDH1A1 (0.58) OPRD1SLC6A2SLC6A4SLC6A3OGA
SCHEMBL13380743 0.82 OPRD1 (0.65) OPRD1CHRM2CHRM1OPRM1

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-115776983-A Heterocyclic immunomodulators 北京诺诚健华医药科技有限公司 2023-03-10 CN disclosed
CN-113896711-A Heterocyclic immunomodulators 北京诺诚健华医药科技有限公司 2022-01-07 CN disclosed
EP-2509973-A1 PROCESS FOR THE PREPARATION OF IMATINIB AND SALTS THEREOF Arch Pharmalabs Limited (IN) 2012-10-17 EP disclosed
US-20110306763-A1 PROCESS FOR THE PREPARATION OF IMATINIB AND SALTS THEREOF SHANGHAI PARLING PHARMATECH CO., LTD. (CN) 2011-12-15 US disclosed
WO-2011070588-A1 PROCESS FOR THE PREPARATION OF IMATINIB AND SALTS THEREOF ARCH PHARMALABS LIMITED (IN) 2011-06-16 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 (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-20110306763-A1 PROCESS FOR THE PREPARATION OF IMATINIB AND SALTS THEREOF ABL1, JAK2, ABL2 OPRD1 4267/4885CHRM2 4832/4885CHRM1 4639/4885

“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.