SCHEMBL19251329

SCHEMBL19251329

Cc1cccc(NC2CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.50
CYP1A2 P05177 2/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 1/20 0.50
ALOX12 P18054 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
GAA P10253 4/20 0.46
ATM Q13315 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ACHE P22303 1/20 0.44
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL12327882 0.92 HPGD (0.55) NPSR1CYP1A2MAPTHPGDALOX12
SCHEMBL11526598 0.92 SMN1; SMN2 (0.59) NPSR1CYP1A2MAPTHPGDALOX12
SCHEMBL7299077 0.90 NPC1 (0.60) NPSR1CYP1A2MAPTHPGDALOX12
SCHEMBL178394 0.87 MAPK1 (0.47) NPSR1CYP1A2MAPTHPGDALOX12
SCHEMBL8989433 0.87 HTR6 (0.53) NPSR1CYP1A2MAPTHPGDALOX12
SCHEMBL15829966 0.86 POLB (0.54) HPGDALOX12SMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL9876688 0.84 HTR6 (0.53) NPSR1HPGDALOX12SMN1; SMN2NPC1
SCHEMBL15830058 0.82 HSD17B10 (0.46) NPSR1CYP1A2MAPTHPGDALOX12
SCHEMBL15829987 0.82 ALDH1A1 (0.48) HPGDALOX12SMN1; SMN2NPC1RAB9A
SCHEMBL15594523 0.81 NPSR1 (0.48) NPSR1CYP1A2MAPTHPGDALOX12

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
CN-118125957-A Cyclopentylamine compound with novel structure and preparation method and application thereof 遵义医科大学 2024-06-04 CN disclosed
EP-3107909-B1 ANTIMITOTIC AMIDES FOR THE TREATMENT OF CANCER AND PROLIFERATIVE DISORDERS FROST BIOLOGIC INC (US) 2021-07-14 EP disclosed
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2017-08-17 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-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 NPSR1 1960/4885CYP1A2 3087/4885MAPT 765/4885

“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.