Sugi Predict

Sugi Predict / Compounds / SCHEMBL7213892

SCHEMBL7213892

SCHEMBL7213892

O=C(CCN1CC=C(c2c[nH]c3cc(Cl)ccc23)CC1)N1CCc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 1/20 0.52
▸ DRD2 P14416 7/20 0.52
▸ DRD4 P21917 1/20 0.52
▸ OPRM1 P35372 1/20 0.50
▸ OPRK1 P41145 1/20 0.50
▸ CDK4 P11802 1/20 0.47
▸ CCND1 P24385 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SLC6A4 P31645 6/20 0.46
▸ HTR1A P08908 5/20 0.46
▸ HTR7 P34969 5/20 0.46
▸ HTR6 P50406 5/20 0.46
▸ POLB P06746 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ GMNN O75496 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46

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
SCHEMBL7220857 0.95 DRD2 (0.53) HTR1DDRD2OPRM1OPRK1SLC6A4
SCHEMBL7220193 0.84 OPRM1 (0.55) HTR1DDRD2OPRM1OPRK1ALDH1A1
SCHEMBL7213743 0.82 DRD2 (0.57) HTR1DDRD2OPRM1OPRK1SLC6A4
SCHEMBL7214501 0.82 DRD2 (0.55) HTR1DDRD2OPRM1OPRK1SLC6A4
SCHEMBL7219420 0.79 HTR1D (0.56) HTR1DDRD2OPRM1OPRK1SLC6A4
SCHEMBL7214469 0.77 HTR1D (0.57) HTR1DDRD2OPRM1OPRK1SLC6A4
SCHEMBL7220689 0.77 HTR1D (0.49) HTR1DDRD2OPRM1OPRK1ALDH1A1
Oxalic Acid SCHEMBL7220896 0.76 OPRM1 (0.55) HTR1DDRD2OPRM1OPRK1SLC6A4
SCHEMBL544948 0.76 HTR1D (0.54) HTR1DDRD2OPRM1OPRK1SLC6A4
SCHEMBL5398831 0.76 HTR1D (0.54) HTR1DDRD2OPRM1OPRK1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6552044-B2 Dopamine receptors H. LUNDBECK A/S (DK) 2003-04-22 — — US disclosed
EP-0946542-B1 INDANE OR DIHYDROINDOLE DERIVATIVES LUNDBECK & CO AS H (DK) 2002-10-09 — — EP disclosed
US-6352988-B2 HIGH AFFINITY FOR D4 RECEPTORS; TREATMENT OF SCHIZOPHRENIA, OTHER PSYCHOSES, ANXIETY DISORDERS, DEPRESSION, ALCOHOL ABUSE, IMPULSE CONTROL DISORDERS, AGGRESSION H. LUNDBECK A/S (DK) 2002-03-05 — — US disclosed
US-20010021777-A1 Indane or dihydroindole derivatives H. LUNDBECK A/S (DK) 2001-09-13 — — US disclosed
US-20010020095-A1 Indane or dihydroindole derivatives H. LUNDBECK A/S (DK) 2001-09-06 — — US disclosed
US-6262087-B1 HAVE HIGH AFFINITY FOR D4 RECEPTORS; USEFUL IN THE TREATMENT OF CERTAIN PSYCHIATRIC AND NEUROLOGIC DISORDERS, INCLUDING PSYCHOSIS, DEPRESSION AND ANXIETY. H. LUNDBECK A/S (DK) 2001-07-17 — — US disclosed
EP-0946542-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H. LUNDBECK A/S (DK) 1999-10-06 — — EP disclosed
WO-1998028293-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H.LUNDBECK A/S (DK) 1998-07-02 — — 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-20010020095-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 HTR1D 4/4885DRD2 14/4885DRD4 8/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 HTR1D 4/4885DRD2 14/4885DRD4 8/4885

“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.