SCHEMBL18068239

SCHEMBL18068239

Cc1cc(C(C)C)ccc1N1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 8/20 0.58
HTR3E A5X5Y0 2/20 0.58
HTR3B O95264 2/20 0.58
HTR3D Q70Z44 2/20 0.58
HTR3C Q8WXA8 2/20 0.58
ADRB1 P08588 4/20 0.54
HTR1A P08908 6/20 0.46
HTR7 P34969 2/20 0.45
HTR6 P50406 3/20 0.43
DRD2 P14416 1/20 0.42
CYP2C19 P33261 1/20 0.42
DRD3 P35462 1/20 0.42
SIGMAR1 Q99720 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
SCHEMBL22422339 0.87 ADRB1 (0.54) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL14924034 0.83 ADRB1 (0.51) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL20883739 0.83 ADRB1 (0.46) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL17660600 0.83 CDK1 (0.43) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL13450375 0.83 ALDH1A1 (0.54)
SCHEMBL25678836 0.81 HTR3E (0.39) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL12352558 0.81 ALDH1A1 (0.46) HTR3AHTR1AHTR6DRD2DRD3
SCHEMBL20883751 0.81 HTR3A (0.41) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL20883659 0.81 HTR3A (0.59) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL25678607 0.80 LMNA (0.45) HTR3AHTR3EHTR3BHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2024-07-11 US disclosed
US-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2024-07-11 US disclosed
US-20230242519-A1 NOVEL COMPOUNDS PAKINAX PTY LTD. (AU) 2023-08-03 US disclosed
US-20230242519-A1 NOVEL COMPOUNDS PAKINAX PTY LTD. (AU) 2023-08-03 US disclosed
US-20220162229-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-05-26 US disclosed
US-10807994-B2 Heterocyclic compounds and uses thereof NUVATION BIO INC. (US) 2020-10-20 US disclosed
US-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 US disclosed
US-20160264570-A1 METHOD OF BLOCKING TRANSMISSION OF MALARIAL PARASITE LOYOLA UNIVERSITY OF CHICAGO 2016-09-15 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 (6 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-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 HTR3A 4004/4885HTR3E 1399/4885HTR3B 3800/4885
US-20160264570-A1 METHOD OF BLOCKING TRANSMISSION OF MALARIAL PARASITE PLK1, TUBA1C, PPT1 HTR3A 2492/4885HTR3E 3654/4885HTR3B 3023/4885
US-20230242519-A1 NOVEL COMPOUNDS PAK4, PAK2, PAK1 HTR3A 4299/4885HTR3E 3649/4885HTR3B 3773/4885
US-20220162229-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 HTR3A 4004/4885HTR3E 1399/4885HTR3B 3800/4885
US-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF WEE1, WEE2, DCLRE1B HTR3A 4388/4885HTR3E 2896/4885HTR3B 4393/4885
US-10807994-B2 Heterocyclic compounds and uses thereof WEE1, WEE2, CCNE1 HTR3A 4372/4885HTR3E 2712/4885HTR3B 4331/4885

“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.