SCHEMBL19002214

SCHEMBL19002214

CCC1CCCN(C(=O)c2ccoc2)C1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA7 P36544 1/20 0.49
CHRNA4 P43681 1/20 0.49
CCR5 P51681 1/20 0.46
GRM5 P41594 3/20 0.45
GRM3 Q14832 3/20 0.44
RECQL P46063 1/20 0.43

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
SCHEMBL18082875 1.00 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1POLBCHRNB2
SCHEMBL19002209 0.82 RECQL (0.63) ALDH1A1KMT2AMEN1POLBCHRNB2
SCHEMBL12986 0.82 RECQL (0.63) ALDH1A1KMT2AMEN1POLBCHRNB2
SCHEMBL12449663 0.82 RECQL (0.63) ALDH1A1KMT2AMEN1POLBCHRNB2
SCHEMBL24486493 0.81 ALDH1A1 (0.56) ALDH1A1POLBGRM3RECQL
SCHEMBL12424605 0.81 ALDH1A1 (0.56) ALDH1A1POLBGRM3RECQL
SCHEMBL21776398 0.79 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1POLBCHRNB2
SCHEMBL18997081 0.79 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1POLBCHRNB2
SCHEMBL21169554 0.79 KMT2A (0.60) ALDH1A1KMT2AMEN1POLBCHRNB2
SCHEMBL28159515 0.76 HPGD (0.59) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7

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
US-10588894-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2020-03-17 US disclosed
US-10221191-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC 2019-03-05 US disclosed
US-20190022074-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY Therapeutics LLC 2019-01-24 US disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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 (4 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-10221191-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 ALDH1A1 2765/4885KMT2A 3544/4885MEN1 4080/4885
US-10588894-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS ALDH1A1 3448/4885KMT2A 4024/4885MEN1 1612/4885
US-20190022074-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS ALDH1A1 3448/4885KMT2A 4024/4885MEN1 1612/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 ALDH1A1 2765/4885KMT2A 3544/4885MEN1 4080/4885

“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.