SCHEMBL4103222

SCHEMBL4103222

Cc1[nH]c2ccc(F)cc2c1C1CC(=O)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
GSK3B P49841 2/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
IDO1 P14902 4/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL3975048 0.85 IDO1 (0.36) KDM4EALDH1A1GLAGAAHTT
SCHEMBL3977229 0.77 IDO1 (0.60) IDO1CYP2C19ABCG2HTR2AHTR2C
SCHEMBL4106485 0.74 SLC6A2 (0.41) LMNACYP2C19MEN1MAPK1KMT2A
SCHEMBL4106482 0.74 SLC6A2 (0.41) LMNACYP2C19MEN1MAPK1KMT2A
SCHEMBL4106477 0.73 HTR2A (0.36) KDM4EALDH1A1GLAGAAHTT
SCHEMBL4106479 0.73 HTR2A (0.36) KDM4EALDH1A1GLAGAAHTT
SCHEMBL3984765 0.72 IDO1 (0.60) LMNAIDO1CYP2C19ABCG2HTR2A
SCHEMBL7841718 0.69 KEAP1 (0.47) KDM4EALDH1A1GLAGAAHTT
SCHEMBL6591640 0.69 MAOB (0.53) KDM4EHTR2AHTR2C
SCHEMBL30127639 0.67 IDO1 (0.60) HTTLMNAIDO1CYP2C19ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618967-B2 Indane compounds H. LUNDBECK A/S (DK) 2009-11-17 US disclosed
US-20090215774-A1 USES OF INDANE COMPOUNDS H. LUNDBECK A/S (DK) 2009-08-27 US disclosed
CN-101472890-A 3- (1H-indol- 3-ydindan-1-ylamine derivatives for the treatment of depression and anxiety LUNDBECK & CO AS H (DK) 2009-07-01 CN disclosed
US-20080058329-A1 NOVEL INDANE COMPOUNDS H. LUNDBECK A/S (DK) 2008-03-06 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-20080058329-A1 NOVEL INDANE COMPOUNDS OPRL1, HTR2C, SLC6A3 KDM4E 809/4885ALDH1A1 79/4885GLA 2365/4885
US-20090215774-A1 USES OF INDANE COMPOUNDS GPR119, INSR, IRS1 KDM4E 745/4885ALDH1A1 376/4885GLA 2522/4885

“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.