SCHEMBL21765824

SCHEMBL21765824

N[C@H]1CCN(Cc2cccc(O)c2)C1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.52
PRKACA P17612 3/20 0.50
PRKACG P22612 3/20 0.50
PRKACB P22694 3/20 0.50
SIGMAR1 Q99720 1/20 0.49
OPRM1 P35372 4/20 0.47
OPRK1 P41145 2/20 0.46
OPRD1 P41143 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM3 P20309 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
DRD3 P35462 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
KDM1A O60341 1/20 0.44

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
SCHEMBL30056809 1.00 DRD2 (0.52) DRD2PRKACAPRKACGPRKACBSIGMAR1
Hydrochloric Acid SCHEMBL21752840 0.98 DRD2 (0.51) DRD2PRKACAPRKACGPRKACBSIGMAR1
Hydrochloric Acid SCHEMBL30921645 0.98 DRD2 (0.51) DRD2PRKACAPRKACGPRKACBSIGMAR1
SCHEMBL17967991 0.91 DRD2 (0.58) DRD2SIGMAR1OPRM1CHRM2CHRM3
Hydrochloric Acid SCHEMBL21752824 0.89 DRD2 (0.57) DRD2SIGMAR1OPRM1OPRK1OPRD1
Hydrochloric Acid SCHEMBL17557617 0.89 DRD2 (0.57) DRD2SIGMAR1OPRM1OPRK1OPRD1
Hydrochloric Acid SCHEMBL30056142 0.89 DRD2 (0.57) DRD2SIGMAR1OPRM1OPRK1OPRD1
SCHEMBL21765981 0.87 OPRM1 (0.51) DRD2SIGMAR1OPRM1OPRK1OPRD1
Hydrochloric Acid SCHEMBL26128904 0.86 OPRM1 (0.50) DRD2SIGMAR1OPRM1OPRK1OPRD1
SCHEMBL25456999 0.82 ACHE (0.53) DRD2SIGMAR1OPRM1OPRK1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3840832-B1 IMIDAZO[1,2-B]PYRIDAZINES AS TRK INHIBITORS BENEVOLENTAI BIO LTD (GB) 2023-10-11 EP disclosed
US-20230149398-A1 TOPICAL PHARMACEUTICAL COMPOSITIONS COMPRISING IMIDAZO[1,2-B]PYRIDAZINE COMPOUNDS BENEVOLENTAI BIO LIMITED (GB) 2023-05-18 US disclosed
US-20230149398-A1 TOPICAL PHARMACEUTICAL COMPOSITIONS COMPRISING IMIDAZO[1,2-B]PYRIDAZINE COMPOUNDS BENEVOLENTAI BIO LIMITED (GB) 2023-05-18 US disclosed
CN-115297863-A Topical pharmaceutical compositions comprising imidazo [1,2-b ] pyridazine compounds 博善人工智能生物科技有限公司 2022-11-04 CN disclosed
US-20210253572-A1 IMIDAZO[1,2-B]PYRIDAZINES AS TRK INHIBITORS BenevolentAl Bio Limited (GB) 2021-08-19 US disclosed
WO-2021148805-A1 TOPICAL PHARMACEUTICAL COMPOSITIONS COMPRISING IMIDAZO[1,2-B]PYRIDAZINE COMPOUNDS BENEVOLENTAI BIO LIMITED (GB) 2021-07-29 WO disclosed
WO-2020039209-A1 IMIDAZO[1,2-B]PYRIDAZINES AS TRK INHIBITORS BENEVOLENTAI BIO LIMITED (GB) 2020-02-27 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-20230149398-A1 TOPICAL PHARMACEUTICAL COMPOSITIONS COMPRISING IMIDAZO[1,2-B]PYRIDAZINE COMPOUNDS TNK2, TNIK, TNK1 DRD2 4507/4885PRKACA 63/4885PRKACG 77/4885
US-20210253572-A1 IMIDAZO[1,2-B]PYRIDAZINES AS TRK INHIBITORS MUSK, TPM3, CSNK1A1 DRD2 3830/4885PRKACA 192/4885PRKACG 252/4885

“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.