SCHEMBL6194124

SCHEMBL6194124

O=C(C1CCCCC1)C(C1CCc2ccccc2N1)N1CCN(c2ccccc2OC(F)(F)F)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 5/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TSHR P16473 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ OPRM1 P35372 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL6193391 0.90 ADRA1A (0.37) TSHRLMNATP53HTTSMN1; SMN2
SCHEMBL6194467 0.89 LMNA (0.45) TSHRLMNATP53HTTSMN1; SMN2
SCHEMBL6194204 0.88 HCRTR1 (0.35) CHRM4MAPTSMN1; SMN2OPRM1MEN1
SCHEMBL6194512 0.87 ADRA1D (0.41) DRD2ADRA1ADRD3
SCHEMBL6194320 0.87 TRPV1 (0.39) KDM4EMAPTTSHRPOLBDRD2
SCHEMBL6194542 0.86 MEN1 (0.43) KDM4EGAAMAPTLMNAHTT
SCHEMBL6191305 0.86 MAPK1 (0.43) KDM4ETSHRLMNATP53SMN1; SMN2
SCHEMBL6192908 0.85 POLB (0.42) KDM4EGAAMAPTTSHRSMN1; SMN2
SCHEMBL6192784 0.85 HTR1A (0.39) KDM4EGAATSHRLMNATP53
SCHEMBL6192643 0.85 GAA (0.41) GAAMAPTTSHRLMNAHTT

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 9 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-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 claimed
US-20030181446-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-09-25 — — US claimed
WO-2003031436-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. (CH) 2003-04-17 — — WO 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 CHRM4 58/4885KDM4E 3432/4885GAA 4060/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C CHRM4 366/4885KDM4E 3928/4885GAA 3749/4885

“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.

Send feedback