SCHEMBL20007071

SCHEMBL20007071

C[C@@H](S)C1CCN(C(=O)c2ncccn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
ACHE P22303 1/20 0.40
CHRM2 P08172 1/20 0.39
AXL P30530 1/20 0.39
FLT3 P36888 1/20 0.39
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
KDM5A P29375 2/20 0.39
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CTSB P07858 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NOS2 P35228 1/20 0.36
EPHX2 P34913 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35

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
SCHEMBL17540495 0.88 CHRM2 (0.41) APOBEC3AAPOBEC3GACHECHRM2AXL
SCHEMBL17546313 0.82 ACHE (0.57) APOBEC3AAPOBEC3GACHECTSBALDH1A1
SCHEMBL21431294 0.78 AKR1C3 (0.43) ACHECHRM2AXLFLT3TYRO3
SCHEMBL28474171 0.73 CHRM2 (0.42) APOBEC3AAPOBEC3GACHECHRM2CYP2C19
SCHEMBL968638 0.73 L3MBTL1 (0.50) CHRM2L3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL19960615 0.72 HRH4 (0.52) CHRM2CYP2C19L3MBTL1KDM4EHPGD
SCHEMBL969811 0.71 HPGD (0.52) CHRM2L3MBTL1ALDH1A1HPGD
SCHEMBL25792014 0.71 PIK3CD (0.42) ALDH1A1EPHX2KDM4EDPP4
SCHEMBL22875294 0.71 KMT2A (0.59) ACHEALDH1A1HPGDHRH3
SCHEMBL22875128 0.69 MEN1 (0.39) L3MBTL3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086736-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER 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 (1 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-20180086736-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA APOBEC3A 4433/4885APOBEC3G 4139/4885ACHE 4376/4885

“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.