SCHEMBL11073058

SCHEMBL11073058

CC(C)Cc1cc2ccoc2cn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 9/20 0.42
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
DYRK1A Q13627 3/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
CDK9 P50750 1/20 0.33
CHRNA7 P36544 2/20 0.32
HTR3A P46098 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32

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
SCHEMBL104140 0.77 DYRK1A (0.37) KDM4EALDH1A1HSD17B10DYRK1ACDK9
SCHEMBL12749946 0.74 HTR1B (0.38) HTR1BDYRK1ACDK9CHRNA7HTR3A
SCHEMBL3122540 0.72 ATM (0.51) NOS3NOS1NOS2HTR3A
SCHEMBL6670562 0.71 HTR1B (0.36) HTR1BDYRK1ACDK9CHRNA7HTR3A
SCHEMBL104574 0.71 HTR1B (0.38) HTR1BDYRK1ACDK9CHRNA7HTR3A
SCHEMBL4671711 0.71 HTR1B (0.38) HTR1BDYRK1ACDK9CHRNA7HTR3A
SCHEMBL4670935 0.71 HTR1B (0.38) HTR1BDYRK1ACDK9CHRNA7HTR3A
SCHEMBL102676 0.71 KDM4E (0.39) KDM4EALDH1A1DYRK1ATAS1R3TAS1R1
SCHEMBL6930395 0.71 CA2 (0.42) DYRK1ACHRNA7HTR3A
SCHEMBL843011 0.71 ALDH1A1 (0.42) ALDH1A1TAS1R3TAS1R1CHRNA7HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-23 US disclosed
US-4480098-A Preparation of alkali metal thieno(furo)pyridines ELI LILLY AND COMPANY (US) 1984-10-30 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-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF F7, F11, HABP2 HTR1B 1680/4885KDM4E 1788/4885ALDH1A1 1218/4885

“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.