SCHEMBL16196855

SCHEMBL16196855

CCCCCCCCCCCCCCCCc1c[nH]nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
CYP19A1 P11511 6/20 0.37
S1PR1 P21453 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ALDH1A1 P00352 3/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
MIF P14174 1/20 0.35
ESR1 P03372 2/20 0.34
ADRA2A P08913 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
TACR2 P21452 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
SHBG P04278 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL5023555 1.00 KCNH2 (0.47) KCNH2CYP19A1S1PR1HRH4HRH3
SCHEMBL5600895 1.00 KCNH2 (0.47) KCNH2CYP19A1S1PR1HRH4HRH3
SCHEMBL5603669 1.00 KCNH2 (0.47) KCNH2CYP19A1S1PR1HRH4HRH3
SCHEMBL245886 1.00 KCNH2 (0.47) KCNH2CYP19A1S1PR1HRH4HRH3
SCHEMBL245127 1.00 KCNH2 (0.47) KCNH2CYP19A1S1PR1HRH4HRH3
SCHEMBL5601502 1.00 KCNH2 (0.47) KCNH2CYP19A1S1PR1HRH4HRH3
SCHEMBL243705 1.00 KCNH2 (0.47) KCNH2CYP19A1S1PR1HRH4HRH3
SCHEMBL628308 0.98 KCNH2 (0.44) KCNH2CYP19A1S1PR1HRH4HRH3
Hydrochloric Acid SCHEMBL27830421 0.96 KCNH2 (0.42) KCNH2CYP19A1S1PR1HRH4HRH3
SCHEMBL9634220 0.90 EPHX2 (0.41) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3650464-B1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND SHANGPHARMA INNOVATION INC (US) 2025-11-05 EP disclosed
CN-116813705-A Peptide compound, application thereof and composition containing peptide compound 凯惠科技发展(上海)有限公司 2023-09-29 CN disclosed
CN-109206481-B Peptide compound, application thereof and composition containing peptide compound 尚华医药科技(江西)有限公司 2023-08-18 CN disclosed
US-11427615-B2 Peptide compound and application thereof, and composition containing peptide compound XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2022-08-30 US disclosed
US-20200172575-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2020-06-04 US disclosed
EP-3650464-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND XDCExplorer (Shanghai) Co., Ltd. (CN) 2020-05-13 EP disclosed
WO-2014172885-A1 GROUP 9 TRANSITION METAL CATALYSTS AND PROCESS FOR USE OF SAME GUANG MING INNOVATION COMPANY (WUHAN) (CN) 2014-10-30 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 (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-11427615-B2 Peptide compound and application thereof, and composition containing peptide compound KISS1R, VIP, NPY1R KCNH2 2166/4885CYP19A1 193/4885S1PR1 2340/4885
US-20200172575-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND KISS1R, VIP, NPY1R KCNH2 2166/4885CYP19A1 193/4885S1PR1 2340/4885

“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.