SCHEMBL6192908

SCHEMBL6192908

O=C(C1CCCCC1)C(C1CCc2ccccc2N1)N1CCN(c2ccccc2Cl)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TSHR P16473 3/20 0.39
▸ DRD2 P14416 3/20 0.39
▸ DRD3 P35462 2/20 0.39
▸ NOTUM Q6P988 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HTR7 P34969 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ CNR1 P21554 2/20 0.35
▸ CNR2 P34972 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ NPY2R P49146 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ AVPR1A P37288 1/20 0.35

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
SCHEMBL6196231 0.94 DRD3 (0.41) POLBMEN1KMT2ATSHRDRD2
SCHEMBL7053883 0.93 CNR1 (0.42) POLBMEN1KMT2ANOTUMALDH1A1
SCHEMBL6193364 0.92 CNR1 (0.42) DRD2DRD3NOTUMHTR7DRD4
SCHEMBL6192643 0.91 GAA (0.41) POLBMEN1KMT2ATSHRDRD2
SCHEMBL6193991 0.91 SCD (0.36) POLBMEN1KMT2ATSHRDRD2
SCHEMBL6194617 0.90 TSHR (0.53) POLBMEN1KMT2ATSHRMAPT
SCHEMBL6191305 0.90 MAPK1 (0.43) POLBMEN1KMT2ATSHRNOTUM
SCHEMBL6194544 0.89 TSHR (0.40) POLBMEN1KMT2ATSHRDRD2
SCHEMBL6194599 0.89 ALDH1A1 (0.41) POLBMEN1KMT2ATSHRDRD2
SCHEMBL6192800 0.89 TSHR (0.37) POLBMEN1KMT2ATSHRMAPT

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 5 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
US-20030181446-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-09-25 — — US 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
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

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 3497/4885MEN1 1822/4885KMT2A 2287/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C POLB 3245/4885MEN1 2190/4885KMT2A 3319/4885

“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