SCHEMBL21169561

SCHEMBL21169561

CCn1nnc2cc(C(C)C)ccc21

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 6/20 0.55
SLC9A1 P19634 3/20 0.54
MAPT P10636 6/20 0.44
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GRM2 Q14416 1/20 0.38

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
SCHEMBL19200287 0.87 SLC9A1 (0.54) HCAR3SLC9A1MAPTPOLBNPC1
SCHEMBL24352983 0.81 TDO2 (0.48) HCAR3SLC9A1MAPTPOLB
SCHEMBL3285240 0.77 PKM (0.53) HCAR3POLB
SCHEMBL12376528 0.77 KEAP1 (0.52) HCAR3SLC9A1MAPTPOLBNPC1
SCHEMBL13523597 0.77 HCAR3 (0.59) HCAR3SLC9A1MAPTPOLBNPC1
SCHEMBL24296700 0.76 PARP15 (0.39) HCAR3MAPTNPC1RAB9A
SCHEMBL23119707 0.76 HCAR3 (0.58) HCAR3SLC9A1MAPTPOLBNPC1
SCHEMBL18323591 0.76 HCAR3 (0.58) HCAR3SLC9A1MAPTPOLBNPC1
SCHEMBL24296719 0.76 PARP15 (0.39) HCAR3MAPTNPC1RAB9A
SCHEMBL23222210 0.76 MAPT (0.59) HCAR3SLC9A1MAPTPOLBNPC1

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-10870657-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2020-12-22 US disclosed
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE SHY Therapeutics LLC 2019-07-18 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-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE MAPK1, MAPK6, MAP3K1 HCAR3 1149/4885SLC9A1 3778/4885MAPT 2188/4885
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 HCAR3 1255/4885SLC9A1 4129/4885MAPT 2731/4885

“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.