SCHEMBL6590682

SCHEMBL6590682

O=C(C(=O)N1CCN(c2cccc3c2OCCO3)CC1)c1c[nH]c2ccc(Cl)cc12

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.59
MAPT P10636 1/20 0.56
CDK4 P11802 3/20 0.52
CCND1 P24385 3/20 0.52
AVPR1A P37288 1/20 0.47
HTR1A P08908 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL615313 0.83 AVPR1A (0.70) DRD2AVPR1A
SCHEMBL6591685 0.77 DRD2 (0.68) DRD2AVPR1AHTR1A
Oxalic Acid SCHEMBL6595691 0.77 DRD2 (0.81) DRD2HTR1A
SCHEMBL6589929 0.76 DRD2 (0.89) DRD2HTR1A
SCHEMBL7533295 0.75 MAPT (0.65) MAPTCDK4CCND1AVPR1AHTR1A
SCHEMBL3913948 0.74 DRD2 (1.00) DRD2HTR1A
SCHEMBL11784754 0.70 AVPR1A (0.67) MAPTCDK4CCND1AVPR1AKDM4E
SCHEMBL6590608 0.70 DRD2 (0.89) DRD2HTR1A
SCHEMBL1558891 0.69 ALDH1A1 (0.69) MAPTCDK4CCND1AVPR1AKDM4E
SCHEMBL3914302 0.69 DRD2 (1.00) DRD2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1007523-B9 INDOLE AND 2,3-DIHYDROINDOLE DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2004-09-08 EP disclosed
CN-1515568-A Indole and 2,3-indoline derivative, their preparation and application H.隆德贝克有限公司 2004-07-28 CN disclosed
CN-1515569-A Indole and 2,3-indoline derivative, their preparation and application H.隆德贝克有限公司 2004-07-28 CN disclosed
US-6727263-B2 SEROTONINE REUPTAKE INHIBITOR; ANTIDEPRESSANTS; SIDE EFFECT REDUCTION H. LUNDBECK A/S (DK) 2004-04-27 US disclosed
CN-1127501-C indole and 2, 3-indoline derivatives, their preparation and use LUNDBECK & CO AS H (DK) 2003-11-12 CN disclosed
EP-1007523-B1 INDOLE AND 2,3-DIHYDROINDOLE DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2003-10-22 EP disclosed
US-20030018050-A1 Indole and 2,3-dihydroindole derivatives, their preparation and use H. LUNDBECK A/S (DK) 2003-01-23 US disclosed
US-6476035-B1 Indole and 2,3-dihydroindole derivatives, their preparation and use H. LUNDBECK A/S (DK) 2002-11-05 US disclosed
CN-1265107-A indole and 2, 3-indoline derivatives, their preparation and use LUNDBECK & CO AS H (DK) 2000-08-30 CN 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-20030018050-A1 Indole and 2,3-dihydroindole derivatives, their preparation and use TPH1, HTR1A, HTR3A DRD2 26/4885MAPT 2725/4885CDK4 4243/4885

“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.