SCHEMBL7214657

SCHEMBL7214657

CC(=O)N1CC(CCBr)c2cc(F)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.45
▸ HSD17B3 P37058 1/20 0.38
▸ HTR1A P08908 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ LMNA P02545 2/20 0.34
▸ AVPR1A P37288 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ TDP2 O95551 1/20 0.34
▸ CASP6 P55212 1/20 0.34
▸ UBE2I P63279 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HKDC1 Q2TB90 1/20 0.34
▸ SAE1 Q9UBE0 1/20 0.34
▸ UBA2 Q9UBT2 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL3958786 0.87 PRKACA (0.38) NOTUMPOLBNPC1ALDH1A1HTT
SCHEMBL3956526 0.81 NOTUM (0.59) NOTUMHSD17B3HTR1ADRD2HTR2A
SCHEMBL3956544 0.81 NOTUM (0.59) NOTUMHSD17B3HTR1ADRD2HTR2A
SCHEMBL26817417 0.77 NOTUM (0.62) NOTUMHSD17B3POLBAVPR1ABRD4
SCHEMBL7216052 0.73 NOTUM (0.56) NOTUMHSD17B3HTR1ADRD2HTR2A
SCHEMBL7214549 0.71 NOTUM (0.38) NOTUMHSD17B3HTR1ADRD2HTR2A
SCHEMBL7219624 0.70 DRD2 (0.51) HTR1ADRD2HTR2AAVPR1AALDH1A1
SCHEMBL28731131 0.70 NOTUM (0.37) NOTUMHSD17B3HTR1ADRD2HTR2A
SCHEMBL3956212 0.69 NOTUM (0.43) NOTUMHSD17B3HTR1ADRD2HTR2A
SCHEMBL3956205 0.69 NOTUM (0.41) NOTUMHTR1ADRD2HTR2ABRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1282644-C Indane or indoline derivative LUNDBECK & CO AS H (DK) 2006-11-01 — — CN disclosed
CN-1244558-C 1,2-indane or indoline derivative LUNDBECK & CO AS H (DK) 2006-03-08 — — CN disclosed
CN-1515551-A 1,2-indane or indoline derivative H.¡�±������޹�˾ 2004-07-28 — — CN disclosed
CN-1495165-A Indane or indoline derivative H.¡�±������޹�˾ 2004-05-12 — — CN disclosed
CN-1146556-C 1, 2-indane or indoline derivative and preparation method and application thereof H.¡�±������޹�˾ 2004-04-21 — — CN disclosed
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
CN-1246117-A 1, 2-indane or indoline derivatives LUNDBECK & CO AS H (DK) 2000-03-01 — — CN 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 NOTUM 3397/4885HSD17B3 702/4885HTR1A 5/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 NOTUM 3397/4885HSD17B3 702/4885HTR1A 5/4885

“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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