SCHEMBL7368648

SCHEMBL7368648

Oc1cc2c(cc1C(F)(F)F)NCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.50
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
ADCY6 O43306 1/20 0.39
ADCY3 O60266 1/20 0.39
ADCY9 O60503 1/20 0.39
ADCY5 O95622 1/20 0.39
ADCY8 P40145 1/20 0.39
ADCY7 P51828 1/20 0.39
ADCY2 Q08462 1/20 0.39
ADCY1 Q08828 1/20 0.39
ADCY4 Q8NFM4 1/20 0.39
P4HB P07237 1/20 0.39
KDM1A O60341 5/20 0.37
PARP1 P09874 1/20 0.35
PARP10 Q53GL7 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
ADRB2 P07550 1/20 0.35
TBXA2R P21731 1/20 0.35

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
SCHEMBL29358285 0.82 DRD2 (0.57) ARDRD2DRD4ADCY6ADCY3
SCHEMBL93915 0.82 DRD2 (0.57) ARDRD2DRD4ADCY6ADCY3
Bromide SCHEMBL9538653 0.81 DRD2 (0.55) DRD2DRD4ADCY6ADCY3ADCY9
Bromide SCHEMBL4622023 0.81 DRD2 (0.55) DRD2DRD4ADCY6ADCY3ADCY9
Hydrochloric Acid SCHEMBL7571627 0.81 DRD2 (0.55) DRD2DRD4ADCY6ADCY3ADCY9
Bromide SCHEMBL29661592 0.81 DRD2 (0.55) DRD2DRD4ADCY6ADCY3ADCY9
SCHEMBL19410987 0.80 AR (0.51) ARDRD2DRD4P4HBPARP1
SCHEMBL6186362 0.79 AR (0.51) ARDRD2DRD4PARP1PARP10
SCHEMBL7078973 0.77 AR (0.49) ARDRD2DRD4PARP1PARP10
SCHEMBL7080334 0.76 HTR2A (0.55) ARDRD2DRD4MAOA

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
WO-2012163898-A1 DYE COMPOSITION USING A (HYDROXY)INDOLINE COUPLER IN A MEDIUM RICH IN FATTY SUBSTANCES, PROCESS AND DEVICES L'OREAL (FR) 2012-12-06 WO disclosed
CN-1147485-C Indoline derivatives useful as 5-HT-2C receptor antagonists ʷ��˿�������ȳ�ķ���޹�˾ 2004-04-28 CN disclosed
EP-0912554-B1 INDOLINE DERIVATIVES USEFUL AS 5-HT-2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2002-11-27 EP disclosed
US-6369060-B1 CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS ANXIETY; 5-METHYL-6-TRIFLUOROMETHYL-1-(6-(2-METHYLPYRIDIN-3-YLOXY)-PYRIDIN-3-YL CARBAMOYL)INDOLINE AND 5-METHYL-1-(6-(2-METHYLPYRIDIN-3-YLOXY) -PYRIDAZIN-3-YLCARBAMOYL)-6-TRIFLUOROMETHYLINDOLINE SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-09 US disclosed
US-20020035134-A1 Indoline derivatives useful as 5-HT-2C receptor antagonists SMITHKLINE BEECHAM P.L.C. 2002-03-21 US disclosed
US-6313145-B1 FOR THERAPY OF ANXIETY AND/OR DEPRESSION SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-06 US disclosed
EP-0912556-B1 INDOLINE DERIVATIVES USEFUL AS 5-HT-2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-10-04 EP disclosed
EP-0984956-A1 INDOLINE DERIVATIVES AS 5HT2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-03-15 EP disclosed
EP-0936924-A2 PHARMACEUTICAL COMPOSITION CONTAINING A 5HT 2C? ANTAGONIST AND A D 2? ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 1999-08-25 EP disclosed
CN-1222152-A Indoline derivatives useful as 5-HT-2C receptor antagonists SMITHKLINE BEECHAM PLC (GB) 1999-07-07 CN disclosed
EP-0912554-A1 INDOLINE DERIVATIVES USEFUL AS 5-HT-2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-05-06 EP disclosed
WO-1998052943-A1 INDOLINE DERIVATIVES AS 5HT2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-11-26 WO disclosed
WO-1998004289-A2 PHARMACEUTICAL COMPOSITION CONTAINING A 5HT2C ANTAGONIST AND A D2 ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 1998-02-05 WO disclosed
WO-1997048699-A1 INDOLINE DERIVATIVES USEFUL AS 5-HT-2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-12-24 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-20020035134-A1 Indoline derivatives useful as 5-HT-2C receptor antagonists HTR2C, HTR1A, HTR1D AR 491/4885DRD2 20/4885DRD4 43/4885

“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.