SCHEMBL7053883

SCHEMBL7053883

O=C(C1CCCCC1)C(C1CCc2ccccc2N1)N1CCN(c2cc(Cl)ccc2Cl)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.42
▸ CNR2 P34972 3/20 0.42
▸ NOTUM Q6P988 1/20 0.41
▸ AVPR1A P37288 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MCOLN3 Q8TDD5 1/20 0.37
▸ MC4R P32245 3/20 0.37
▸ POLB P06746 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ TP53 P04637 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
SCHEMBL6193364 0.94 CNR1 (0.42) CNR1CNR2NOTUMAVPR1AMAPK1
SCHEMBL6192908 0.93 POLB (0.42) CNR1CNR2NOTUMAVPR1AKMT2A
SCHEMBL6193541 0.92 CYP3A4 (0.38) CNR1CNR2AVPR1AKMT2AMEN1
SCHEMBL6193991 0.91 SCD (0.36) CNR1CNR2KMT2AMEN1MAPK1
SCHEMBL6193882 0.91 TP53 (0.44) AVPR1AKMT2AMEN1MAPK1ALDH1A1
SCHEMBL6192944 0.89 ALDH1A1 (0.41) KMT2AMEN1MAPK1ALDH1A1TP53
SCHEMBL6195467 0.89 MC4R (0.37) CNR1CNR2AVPR1AKMT2AMAPK1
SCHEMBL6191566 0.88 MAPT (0.47) KMT2AMEN1MAPK1ALDH1A1NPSR1
SCHEMBL6192611 0.87 KMT2A (0.41) NOTUMKMT2AMEN1ALDH1A1
SCHEMBL6196231 0.87 DRD3 (0.41) NOTUMKMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030181446-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-09-25 — — US claimed
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 CNR1 49/4885CNR2 68/4885NOTUM 2403/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C CNR1 34/4885CNR2 37/4885NOTUM 2503/4885

“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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