SCHEMBL18930361

SCHEMBL18930361

CC(C)N1CCC(CC(=O)N(CCO)CCO)CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 8/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ SYK P43405 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ HTR4 Q13639 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ OPRM1 P35372 3/20 0.31

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
SCHEMBL14725155 0.94 TLR9 (0.35) HRH3KCNH2SYKALDH1A1OPRM1
SCHEMBL15721224 0.82 NCF1 (0.38) SYKOPRM1
SCHEMBL13212863 0.80 HRH3 (0.38) HRH3KCNH2CYP2D6HTR4ALDH1A1
SCHEMBL20795837 0.79 EPHX1 (0.43) KCNH2SYKOPRM1
SCHEMBL24671069 0.78 HRH3 (0.37) HRH3KCNH2CYP2D6HTR4ALDH1A1
SCHEMBL25513773 0.76 PIK3CA (0.38) HRH3KCNH2CYP2D6OPRM1
SCHEMBL14725147 0.74 HRH3 (0.41) HRH3KCNH2CYP2D6HTR4ALDH1A1
SCHEMBL1261174 0.74 HRH3 (0.44) HRH3KCNH2CYP2D6ALDH1A1
SCHEMBL20348267 0.74 HRH3 (0.40) HRH3KCNH2CYP2D6HTR4ALDH1A1
SCHEMBL14725150 0.73 HRH3 (0.40) HRH3KCNH2CYP2D6HTR4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190070182-A1 USES OF PYRIMIDO-PYRIDAZINONES TO TREAT CANCER ASANA BIOSCIENCES, LLC 2019-03-07 — — US disclosed
US-10188654-B2 Uses of pyrimido-pyridazinones to treat cancer ASANA BIOSCIENCES, LLC (US) 2019-01-29 — — US disclosed
US-20170157126-A1 USES OF PYRIMIDO-PYRIDAZINONES TO TREAT CANCER ASANA BIOSCIENCES, LLC (US) 2017-06-08 — — 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 (3 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-20190070182-A1 USES OF PYRIMIDO-PYRIDAZINONES TO TREAT CANCER MKI67, DPYD, TYMP HRH3 2015/4885KCNH2 2545/4885SYK 919/4885
US-10188654-B2 Uses of pyrimido-pyridazinones to treat cancer MKI67, DPYD, TYMP HRH3 2015/4885KCNH2 2545/4885SYK 919/4885
US-20170157126-A1 USES OF PYRIMIDO-PYRIDAZINONES TO TREAT CANCER MKI67, DPYD, TYMP HRH3 2015/4885KCNH2 2545/4885SYK 919/4885

“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.

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