SCHEMBL30485023

SCHEMBL30485023

C[C@H]1CN(C2CN(C(=O)OCc3ccccc3)C2)CCN1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 2/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ CYP2C19 P33261 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ XIAP P98170 1/20 0.47
▸ BIRC2 Q13490 1/20 0.47
▸ HTT P42858 1/20 0.44
▸ PDK1 Q15118 1/20 0.43
▸ PDK2 Q15119 1/20 0.43
▸ PDK3 Q15120 1/20 0.43
▸ PDK4 Q16654 1/20 0.43
▸ TMEM97 Q5BJF2 3/20 0.42
▸ SIGMAR1 Q99720 3/20 0.42
▸ HTR1A P08908 2/20 0.42
▸ ADRA2C P18825 2/20 0.42
▸ HRH2 P25021 2/20 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
SCHEMBL31663743 1.00 HTR2C (0.52) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2787453 0.86 HTR2C (0.58) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2579734 0.86 HTR2C (0.58) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL13490134 0.86 HTR2C (0.58) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL30418996 0.86 HTR2C (0.53) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
Hydrochloric Acid SCHEMBL31066472 0.85 HTR2C (0.56) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL28636570 0.85 SMN1; SMN2 (0.54) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL7802330 0.81 HTR2C (0.55) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL25755723 0.81 SMN1; SMN2 (0.56) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL16822450 0.81 SMN1; SMN2 (0.50) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19

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-20250241926-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2025-07-31 — — US disclosed
EP-4419207-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LTD (GB) 2025-07-23 — — EP disclosed
EP-4419207-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Artios Pharma Limited (GB) 2024-08-28 — — EP disclosed
WO-2023067354-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2023-04-27 — — WO 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-20250241926-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER NQO1, VHL, SDHA HTR2C 1366/4885SMN1; SMN2 2654/4885NPC1 785/4885

“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.

Send feedback