SCHEMBL314828

SCHEMBL314828

CC(C)(C)CNC(=O)c1[c]cccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.40
BCHE P06276 1/20 0.40
MMP1 P03956 1/20 0.40
PRSS1 P07477 1/20 0.40
CTSG P08311 1/20 0.40
CTRB1 P17538 1/20 0.40
CMA1 P23946 1/20 0.40
POLB P06746 2/20 0.39
CNR2 P34972 4/20 0.39
TSHR P16473 1/20 0.37
ADORA2A P29274 1/20 0.37
RAB9A P51151 3/20 0.36
LMNA P02545 1/20 0.36
CNR1 P21554 1/20 0.36
RIPK1 Q13546 1/20 0.35
NPC1 O15118 2/20 0.35
MAPT P10636 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
SCHEMBL21461953 0.83 MEN1 (0.41) POLB
SCHEMBL97054 0.81 KMT2A (0.43) BCHETSHRLMNANPC1MAPT
SCHEMBL3982704 0.78 TSHR (0.46) POLBTSHRRAB9ANPC1
SCHEMBL1115346 0.77 SMN1; SMN2 (0.41) POLBRAB9ALMNANPC1MAPT
SCHEMBL4983838 0.77 KMT2A (0.51) POLBLMNAMAPT
SCHEMBL3764584 0.77 CTSL (0.43) NAMPT
SCHEMBL1416028 0.76 ALDH1A1 (0.45) POLBTSHRRAB9ALMNANPC1
SCHEMBL1900364 0.76 KMT2A (0.54) TSHRRAB9ALMNA
SCHEMBL7301446 0.76 MME (0.44) POLBMAPT
SCHEMBL1416190 0.75 HPGD (0.53) BCHETSHRRAB9ANPC1

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-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 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-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 NAMPT 3462/4885BCHE 3733/4885MMP1 3197/4885

“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.