SCHEMBL21859015

SCHEMBL21859015

O=C(NC1CCCC1)c1cc(Cc2ccc(Br)cc2)c2cccn2n1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 14/20 0.67
CNR1 P21554 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL21859041 0.99 CHRM1 (0.66) CHRM1CNR1KDM4EHSD17B10ALDH1A1
SCHEMBL21938750 0.90 CHRM1 (0.61) CHRM1CNR1KDM4ENPC1RAB9A
SCHEMBL21859106 0.89 CHRM1 (0.61) CHRM1CNR1KDM4EALDH1A1
SCHEMBL22322433 0.88 CHRM1 (0.79) CHRM1
SCHEMBL21938254 0.83 CHRM1 (0.55) CHRM1ALDH1A1SMN1; SMN2
SCHEMBL21859083 0.83 CHRM1 (0.66) CHRM1KDM4EHSD17B10NPC1RAB9A
SCHEMBL22322789 0.82 CHRM1 (0.75) CHRM1
SCHEMBL23972139 0.81 CHRM1 (0.72) CHRM1KDM4E
SCHEMBL23972179 0.81 CHRM1 (0.59) CHRM1
SCHEMBL21858970 0.81 CHRM1 (0.59) CHRM1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12122779-B2 Pyrrolo-pyridazine derivatives as muscarinic M1 receptor positive allosteric modulators SUVEN LIFE SCIENCES LIMITED (IN) 2024-10-22 US claimed
CN-113166160-B Pyrrolopyridazine derivatives as modulators of the positive allosteric of the muscarinic M1 receptor 苏文生命科学有限公司 2023-12-19 CN claimed
EP-3867254-B1 PYRROLO-PYRIDAZINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LTD (IN) 2023-05-31 EP claimed
US-20210340148-A1 PYRROLO-PYRIDAZINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2021-11-04 US claimed
CN-113166160-A Pyrrolopyridazine derivatives as positive allosteric modulators of muscarinic M1 receptors 苏文生命科学有限公司 2021-07-23 CN claimed
WO-2020079606-A9 PYRROLO-PYRIDAZINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2020-08-13 WO claimed
WO-2020079606-A1 PYRROLO-PYRIDAZINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2020-04-23 WO claimed
US-12122779-B2 Pyrrolo-pyridazine derivatives as muscarinic M1 receptor positive allosteric modulators SUVEN LIFE SCIENCES LIMITED (IN) 2024-10-22 US disclosed
CN-113166160-B Pyrrolopyridazine derivatives as modulators of the positive allosteric of the muscarinic M1 receptor 苏文生命科学有限公司 2023-12-19 CN disclosed
EP-3867254-B1 PYRROLO-PYRIDAZINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LTD (IN) 2023-05-31 EP disclosed
EP-3867254-B1 PYRROLO-PYRIDAZINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LTD (IN) 2023-05-31 EP disclosed
US-20210340148-A1 PYRROLO-PYRIDAZINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2021-11-04 US disclosed
CN-113166160-A Pyrrolopyridazine derivatives as positive allosteric modulators of muscarinic M1 receptors 苏文生命科学有限公司 2021-07-23 CN disclosed
WO-2020079606-A9 PYRROLO-PYRIDAZINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2020-08-13 WO disclosed
WO-2020079606-A1 PYRROLO-PYRIDAZINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2020-04-23 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-20210340148-A1 PYRROLO-PYRIDAZINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CHRM5, CHRM2 CHRM1 1/4885CNR1 68/4885KDM4E 3084/4885
US-12122779-B2 Pyrrolo-pyridazine derivatives as muscarinic M1 receptor positive allosteric modulators CHRM1, CHRM5, CHRM2 CHRM1 1/4885CNR1 68/4885KDM4E 3084/4885

“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.