SCHEMBL7213720

SCHEMBL7213720

CC(C)Oc1cccc(CBr)c1CBr

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.35
ACHE P22303 1/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL694395 0.82 SLC6A2 (0.44) NPSR1IRAK4MEN1POLBKMT2A
SCHEMBL29643214 0.82 SLC6A2 (0.44) NPSR1IRAK4MEN1POLBKMT2A
SCHEMBL28562728 0.81 MCHR1 (0.36) MCHR1NPSR1IRAK4CA1CA2
SCHEMBL2061864 0.80 IDO1 (0.42) CA1CA2CA7CA9HPGD
SCHEMBL7213723 0.74 MCHR1 (0.41) MCHR1NPSR1MEN1POLBKMT2A
SCHEMBL3933187 0.74 CSNK2A1 (0.46) MCHR1NPSR1IRAK4CA1CA2
SCHEMBL677275 0.74 MCHR1 (0.41) MCHR1NPSR1IRAK4CA1CA2
SCHEMBL338177 0.73 GABRA1 (0.38) TSHRALDH1A1
SCHEMBL20582948 0.73 KDM4E (0.33) CA1CA2CA9POLBKMT2A
SCHEMBL29497697 0.73 KDM4E (0.33) CA1CA2CA9POLBKMT2A

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 MCHR1 81/4885NPSR1 21/4885IRAK4 975/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 MCHR1 81/4885NPSR1 21/4885IRAK4 975/4885

“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.