SCHEMBL6193546

SCHEMBL6193546

O=C(C1CCCCC1)N1c2ccccc2CCC1CN1CCN(c2cc(Cl)ccc2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.42
▸ AVPR1A P37288 5/20 0.41
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TP53 P04637 1/20 0.40

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
SCHEMBL7053877 0.93 POLB (0.43) POLBAVPR1ADRD2DRD4ALDH1A1
SCHEMBL6193361 0.91 DRD2 (0.47) POLBAVPR1ADRD2DRD4
SCHEMBL6191300 0.91 POLB (0.47) POLBDRD2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL6193892 0.90 TP53 (0.52) POLBAVPR1AALDH1A1KMT2ASMN1; SMN2
SCHEMBL6193914 0.90 POLB (0.43) POLBALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL6192911 0.89 POLB (0.48) POLBDRD2DRD4ALDH1A1KMT2A
SCHEMBL6195471 0.88 DRD2 (0.42) POLBAVPR1ADRD2DRD4NPSR1
SCHEMBL6192948 0.88 DRD2 (0.48) DRD2DRD4ALDH1A1KMT2A
SCHEMBL6193989 0.87 POLB (0.42) POLBDRD2DRD4ALDH1A1KMT2A
SCHEMBL6192617 0.87 LMNA (0.48) DRD2DRD4KMT2ATP53

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 POLB 3497/4885AVPR1A 71/4885DRD2 163/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C POLB 3245/4885AVPR1A 39/4885DRD2 85/4885

“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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