SCHEMBL23630645

SCHEMBL23630645

CN1CCC(CNC(=O)c2ccc(N)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.60
HDAC4 P56524 2/20 0.56
HDAC3 O15379 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
ROCK2 O75116 2/20 0.50
HTR4 Q13639 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
MAP4K4 O95819 1/20 0.49
CHIT1 Q13231 1/20 0.49
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
CA2 P00918 1/20 0.49
F2 P00734 2/20 0.48

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
SCHEMBL12093537 0.87 MMP13 (0.61) NAMPTHDAC4HDAC3HDAC8ROCK2
SCHEMBL12156536 0.86 CA2 (0.57) NAMPTHDAC4HDAC3HDAC8HDAC1
SCHEMBL12090016 0.86 NAMPT (0.58) NAMPTHDAC4HDAC3HDAC8ROCK2
SCHEMBL22122859 0.85 NAMPT (0.66) NAMPTHDAC4HDAC3HDAC8ROCK2
Hydrochloric Acid SCHEMBL5115404 0.85 CA2 (0.56) NAMPTHDAC4HDAC3HDAC8HDAC1
SCHEMBL19226529 0.84 NAMPT (0.59) NAMPTHDAC4HDAC3HDAC8ROCK2
SCHEMBL3123586 0.84 KDM4E (0.54) NAMPTHDAC4HDAC3HDAC8HDAC1
SCHEMBL24331631 0.83 CA2 (0.67) NAMPTHDAC3HDAC1HDAC2HDAC6
SCHEMBL19145458 0.83 NAMPT (0.43) NAMPTHDAC4HDAC3HDAC8HTR4
SCHEMBL1448089 0.83 NAMPT (0.57) NAMPTHDAC4HDAC3HDAC8ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3802492-B1 COMPOUNDS USEFUL IN THE TREATMENT OF DISORDERS ASSOCIATED WITH MUTANT RAS THE INSTITUTE OF CANCER RES ROYAL CANCER HOSPITAL (GB) 2024-11-06 EP disclosed
US-11970469-B2 Compounds useful in the treatment of disorders associated with mutant RAS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2024-04-30 US disclosed
US-20210214322-A1 COMPOUNDS USEFUL IN THE TREATMENT OF DISORDERS ASSOCIATED WITH MUTANT RAS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2021-07-15 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-20210214322-A1 COMPOUNDS USEFUL IN THE TREATMENT OF DISORDERS ASSOCIATED WITH MUTANT RAS KRAS, NRAS, HRAS NAMPT 3451/4885HDAC4 2867/4885HDAC3 3575/4885
US-11970469-B2 Compounds useful in the treatment of disorders associated with mutant RAS KRAS, NRAS, HRAS NAMPT 3451/4885HDAC4 2867/4885HDAC3 3575/4885

“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.