SCHEMBL2379871

SCHEMBL2379871

C1CCC2CCNCC2CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
CCR5 P51681 1/20 0.35
HTR2C P28335 1/20 0.34
HTR6 P50406 1/20 0.33
EPHX1 P07099 1/20 0.32
HTR3A P46098 1/20 0.31
SLC6A1 P30531 2/20 0.30
KCNH2 Q12809 1/20 0.30
SLC6A11 P48066 1/20 0.30
TSHR P16473 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SLC6A13 Q9NSD5 1/20 0.30

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
SCHEMBL29323536 1.00 ALDH1A1 (0.44) ALDH1A1CCR5HTR2CHTR6EPHX1
SCHEMBL399242 1.00 ALDH1A1 (0.44) ALDH1A1CCR5HTR2CHTR6EPHX1
SCHEMBL29323531 1.00 ALDH1A1 (0.44) ALDH1A1CCR5HTR2CHTR6EPHX1
SCHEMBL29323535 1.00 ALDH1A1 (0.44) ALDH1A1CCR5HTR2CHTR6EPHX1
SCHEMBL24364098 1.00 ALDH1A1 (0.44) ALDH1A1CCR5HTR2CHTR6EPHX1
SCHEMBL24364095 1.00 ALDH1A1 (0.44) ALDH1A1CCR5HTR2CHTR6EPHX1
SCHEMBL29323538 1.00 ALDH1A1 (0.44) ALDH1A1CCR5HTR2CHTR6EPHX1
SCHEMBL24364102 1.00 ALDH1A1 (0.44) ALDH1A1CCR5HTR2CHTR6EPHX1
SCHEMBL22545893 1.00 ALDH1A1 (0.44) ALDH1A1CCR5HTR2CHTR6EPHX1
SCHEMBL27763804 1.00 ALDH1A1 (0.44) ALDH1A1CCR5HTR2CHTR6EPHX1

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-4269404-A1 KETOHEXOKINASE INHIBITOR AND USE THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2023-11-01 EP disclosed
EP-3596061-B1 COMPOUNDS USEFUL IN THE TREATMENT OR PREVENTION OF A PRMT5-MEDIATED DISORDER ARGONAUT THERAPEUTICS LTD (GB) 2023-09-06 EP disclosed
WO-2023072197-A1 PIPERIDINYL INDOLE DERIVATIVES, PREPARATION METHODS AND MEDICINAL USES THEREOF HANSOH BIO LLC (US) 2023-05-04 WO disclosed
WO-2022174796-A1 PYRIMIDINE COMPOUND AS WEE-1 INHIBITOR 微境生物医药科技(上海)有限公司 2022-08-25 WO disclosed
WO-2021254493-A1 CYCLIC COMPOUND HAVING ANTI-TUMOR ACTIVITY AND USE THEREOF 上海翊石医药科技有限公司 2021-12-23 WO disclosed
EP-3919076-A1 SYNTHETIC OLIGOSACCHARIDE VACCINES AGAINST STREPTOCOCCUS PNEUMONIAE WITH MICROPARTICLE ADJUVANT FORMULATIONS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2021-12-08 EP disclosed
US-20110230419-A1 IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2011-09-22 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-20110230419-A1 IAP BINDING COMPOUNDS BIRC5, BIRC7, BIRC3 ALDH1A1 2947/4885CCR5 2562/4885HTR2C 4858/4885

“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.