SCHEMBL7215920

SCHEMBL7215920

Clc1ccc2c(C3=CCNCC3)c[nH]c2c1.O=C(O)CCC1Cc2ccccc2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 3/20 0.47
MAPT P10636 2/20 0.47
DRD2 P14416 1/20 0.47
ALOX15 P16050 1/20 0.47
HTR1D P28221 3/20 0.39
HTR6 P50406 5/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
BRCA1 P38398 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL7216278 0.95 HTR2C (0.46) HTR2CKDM4EALDH1A1HSD17B10MAPT
SCHEMBL6599102 0.79 HTR2C (0.65) HTR2CKDM4EALDH1A1HSD17B10MAPT
Oxalic Acid SCHEMBL7220896 0.74 OPRM1 (0.55) KDM4EDRD2ALOX15HTR1DHTR6
SCHEMBL7214469 0.73 HTR1D (0.57) KDM4EDRD2ALOX15HTR1DHTR6
SCHEMBL7221082 0.73 MAPT (0.49) MAPTDRD2HTR1DOPRM1OPRK1
SCHEMBL7214300 0.72 DRD2 (0.56) DRD2HTR1DHTR6OPRM1OPRK1
SCHEMBL7213683 0.71 DRD2 (0.57) DRD2HTR1DHTR6OPRM1OPRK1
SCHEMBL7214490 0.71 OPRM1 (0.58) KDM4EDRD2ALOX15HTR1DHTR6
SCHEMBL2783986 0.70 HTR6 (0.67) HTR2CKDM4EALDH1A1HSD17B10MAPT
SCHEMBL7219966 0.69 MAPT (0.51) MAPTDRD2HTR1DOPRM1OPRK1

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-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

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 HTR2C 9/4885KDM4E 1773/4885ALDH1A1 289/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 HTR2C 9/4885KDM4E 1773/4885ALDH1A1 289/4885

“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.