SCHEMBL20008997

SCHEMBL20008997

CC(C)N1CC2CCC(C1)N2c1nccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
TDP1 Q9NUW8 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
POLB P06746 2/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
KDM4C Q9H3R0 1/20 0.35
ALDH1A1 P00352 3/20 0.34
GAA P10253 2/20 0.34
OGA O60502 1/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HTT P42858 1/20 0.32
HPGD P15428 1/20 0.32
CHI3L1 P36222 1/20 0.32
CHIT1 Q13231 1/20 0.32
CHI3L2 Q15782 1/20 0.32
CHIA Q9BZP6 1/20 0.32
MAPT P10636 2/20 0.32

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
SCHEMBL18081173 0.82 TDP1 (0.40) HRH3TDP1L3MBTL1POLBAPEX1
SCHEMBL9963418 0.75 HRH3 (0.46) HRH3TDP1L3MBTL1POLBAPEX1
SCHEMBL20009032 0.73 SLC6A7 (0.38) HRH3ALDH1A1OGAKDM4E
SCHEMBL18436484 0.72 SORD (0.37) HRH3TDP1L3MBTL1POLBAPEX1
SCHEMBL12878768 0.70 HRH3 (0.60) HRH3ALDH1A1OGANPC1RAB9A
SCHEMBL9963419 0.70 MAP3K12 (0.38) HRH3TDP1L3MBTL1POLBAPEX1
SCHEMBL20009044 0.69 KDM4E (0.37) L3MBTL1ALDH1A1KDM4E
SCHEMBL20009060 0.69 HRH3 (0.43) HRH3HSD17B10KDM4E
SCHEMBL22794068 0.68 OGA (0.33) HRH3OGAMAPK1
SCHEMBL24213027 0.67 HRH3 (0.39) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 203/4885TDP1 1227/4885L3MBTL1 555/4885
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 HRH3 203/4885TDP1 1227/4885L3MBTL1 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.