SCHEMBL20009045

SCHEMBL20009045

CC(C)N1CC2CCC(C1)N2c1ccc(C(=O)O)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.43
KDM4E B2RXH2 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
KMT2A Q03164 2/20 0.40
HIF1A Q16665 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
GLA P06280 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PARP1 P09874 1/20 0.38
P4HTM Q9NXG6 6/20 0.37
P4HA1 P13674 1/20 0.37
MIF P14174 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.35
KCNJ1 P48048 1/20 0.35
NR1H4 Q96RI1 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL20009053 0.88 HRH3 (0.55) HRH3KMT2APARP1KCNJ1OPRM1
SCHEMBL26241814 0.85 OPRM1 (0.44) KDM4EL3MBTL1KMT2AHIF1ATDP1
SCHEMBL18038733 0.77 GPR119 (0.52) KMT2ASMN1; SMN2MEN1MAPTTSHR
SCHEMBL4032728 0.73 HRH3 (0.53) HRH3
SCHEMBL26241845 0.73 HRH3 (0.45) HRH3KMT2APARP1KCNJ1OPRM1
SCHEMBL5210405 0.73 HRH3 (0.61) HRH3
SCHEMBL20008965 0.72 OPRM1 (0.47) HRH3ALDH1A1OPRM1
SCHEMBL18038812 0.71 GPR119 (0.46) KMT2ASMN1; SMN2MEN1MAPTTSHR
SCHEMBL20009051 0.71 CHRNB2 (0.47)
SCHEMBL20009008 0.70 HRH3 (0.35) HRH3OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3262036-B1 THERAPEUTIC PYRIDAZINE COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2023-09-13 EP disclosed
US-10308614-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-06-04 US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 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 (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-10308614-B2 Therapeutic compounds and uses thereof SMARCC1, SMARCC2, SMARCA4 HRH3 203/4885KDM4E 1623/4885L3MBTL1 555/4885
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 HRH3 203/4885KDM4E 1623/4885L3MBTL1 555/4885

“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.