SCHEMBL7983132

SCHEMBL7983132

O=C1c2ccccc2C(=O)N1CCCCN1CCc2ccccc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 1.00
HTR1A P08908 4/20 1.00
DRD3 P35462 2/20 1.00
ALDH1A1 P00352 1/20 0.64
LMNA P02545 1/20 0.64
MAPT P10636 1/20 0.64
HPGD P15428 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64

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
SCHEMBL7983795 0.97 HTR7 (0.94) HTR7HTR1ADRD3ALDH1A1LMNA
SCHEMBL11829560 0.90 HTR7 (0.81) HTR7HTR1ADRD3ALDH1A1MAPT
SCHEMBL20358477 0.89 HTR1A (0.80) HTR7HTR1ADRD3ALDH1A1LMNA
SCHEMBL11841888 0.88 HTR7 (0.79) HTR7HTR1ADRD3ALDH1A1MAPT
SCHEMBL11836473 0.88 HTR7 (0.79) HTR7HTR1ADRD3ALDH1A1MAPT
SCHEMBL6974786 0.86 HTR1A (0.74) HTR7HTR1ADRD3ALDH1A1LMNA
SCHEMBL7842686 0.86 HTR1A (0.74) HTR7HTR1ADRD3ALDH1A1LMNA
SCHEMBL7852411 0.86 HTR1A (0.74) HTR7HTR1ADRD3ALDH1A1LMNA
SCHEMBL5599556 0.84 HTR7 (0.73) HTR7HTR1ADRD3
SCHEMBL6974327 0.83 HTR1A (0.70) HTR7HTR1ADRD3

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
US-20180193330-A1 ALKYLATED TETRAHYDROISOQUINOLINES FOR BINDING TO CENTRAL NERVOUS SYSTEM RECEPTORS FLORIDA A&M UNIVERSITY 2018-07-12 US disclosed
US-20180193330-A1 ALKYLATED TETRAHYDROISOQUINOLINES FOR BINDING TO CENTRAL NERVOUS SYSTEM RECEPTORS FLORIDA A&M UNIVERSITY 2018-07-12 US disclosed
US-20180193330-A1 ALKYLATED TETRAHYDROISOQUINOLINES FOR BINDING TO CENTRAL NERVOUS SYSTEM RECEPTORS FLORIDA A&M UNIVERSITY 2018-07-12 US disclosed
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
EP-0915888-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-05-19 EP disclosed
WO-1997040051-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 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 (1 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-20180193330-A1 ALKYLATED TETRAHYDROISOQUINOLINES FOR BINDING TO CENTRAL NERVOUS SYSTEM RECEPTORS NTSR2, HTR3B, NTSR1 HTR7 21/4885HTR1A 28/4885DRD3 389/4885

“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.