SCHEMBL6194546

SCHEMBL6194546

COc1cc(F)ccc1N1CCN(CC2CCc3cc([N+](=O)[O-])ccc3N2C(=O)C2CCCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.46
▸ HTR2A P28223 2/20 0.46
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ HTR1A P08908 5/20 0.40
▸ ADRA1D P25100 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ ADRA1B P35368 1/20 0.40
▸ WDR5 P61964 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HTR1D P28221 1/20 0.38
▸ HTR1B P28222 1/20 0.38
▸ SLC6A5 Q9Y345 1/20 0.38

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
SCHEMBL6193242 0.91 DRD2 (0.46) DRD2LMNAALDH1A1DRD4HTR1A
SCHEMBL6193315 0.88 DRD2 (0.43) DRD2LMNAALDH1A1DRD4HTR1A
SCHEMBL6192846 0.87 DRD2 (0.43) DRD2ALDH1A1DRD4HTR1AADRA1D
SCHEMBL6194268 0.87 DRD2 (0.43) DRD2HTR2AALDH1A1DRD4HTR1A
SCHEMBL6192783 0.87 HTR1A (0.48) DRD2ALDH1A1SMN1; SMN2DRD4HTR1A
SCHEMBL6192202 0.87 DRD2 (0.44) DRD2LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL6195679 0.86 DRD2 (0.41) DRD2HTR2AMAPTALDH1A1MAPK1
SCHEMBL6211824 0.85 DRD4 (0.49) DRD2ALDH1A1SMN1; SMN2DRD4HTR1A
SCHEMBL6194533 0.84 DRD2 (0.43) DRD2LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL6192716 0.83 DRD2 (0.42) DRD2DRD4HTR1AADRA1DADRA1A

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 claimed
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
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 DRD2 163/4885HTR2A 8/4885LMNA 2397/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C DRD2 85/4885HTR2A 8/4885LMNA 921/4885

“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.

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