SCHEMBL6196312

SCHEMBL6196312

O=C(O)C1CCc2cc(Cl)ccc2N1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
SRD5A1 P18405 2/20 0.40
CDC25B P30305 1/20 0.40
SRD5A2 P31213 1/20 0.40
AHR P35869 1/20 0.39

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
Hydrochloric Acid SCHEMBL11045497 0.98 GAA (0.44) GAAMAPTALDH1A1TP53CYP1A2
Hydrochloric Acid SCHEMBL11046446 0.84 ESR1 (0.55) GAAMAPTALDH1A1TP53CYP1A2
SCHEMBL6246219 0.84 GAA (0.60) GAAMAPTCDC25BAHR
SCHEMBL6164822 0.84 GAA (0.60) GAAMAPTCDC25BAHR
SCHEMBL3256484 0.84 GAA (0.60) GAAMAPTCDC25BAHR
Water SCHEMBL28741688 0.83 GAA (0.58) GAAMAPTCDC25BAHR
Hydrochloric Acid SCHEMBL11071035 0.83 GAA (0.58) GAAMAPTCDC25BAHR
SCHEMBL30357998 0.82 IGF1R (0.46) ALDH1A1TP53CYP1A2HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL22617355 0.81 GAA (0.57) GAAMAPTCDC25BAHR
SCHEMBL6196248 0.81 ALDH1A1 (0.46) GAAMAPTALDH1A1TP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432701-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI IRELAND LTD (IE) 2005-12-21 EP disclosed
CN-1564820-A Heterocyclic compounds for use in the treatment of disorders of the urinary tract RECORDATI CHEM PHARM (CH) 2005-01-12 CN disclosed
EP-1432701-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 2004-06-30 EP disclosed
US-20030181446-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-09-25 US disclosed
US-20030162777-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-08-28 US disclosed
WO-2003031436-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. (CH) 2003-04-17 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-20030162777-A1 Novel N-acylated heterocycles HTR1A, HTR1D, HTR1E GAA 4060/4885MAPT 2023/4885ALDH1A1 1076/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C GAA 3749/4885MAPT 2167/4885ALDH1A1 595/4885

“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.