SCHEMBL4097300

SCHEMBL4097300

CN[C@H]1C[C@@H](c2c[nH]c3ccccc23)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.49
HTR2A P28223 3/20 0.49
HTR2B P41595 3/20 0.49
ADRB2 P07550 1/20 0.48
IDO1 P14902 3/20 0.47
LMNA P02545 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL4085374 1.00 HTR2C (0.49) HTR2CHTR2AHTR2BADRB2IDO1
SCHEMBL4083583 0.86 MGAM (0.46) HTR2CHTR2AHTR2BLMNA
SCHEMBL13620081 0.85 IDO1 (0.50) IDO1LMNA
SCHEMBL4100331 0.84 HTR2A (0.51) HTR2CHTR2AHTR2BIDO1
SCHEMBL3978475 0.84 SLC6A4 (0.50) IDO1LMNA
SCHEMBL4100338 0.84 HTR2A (0.51) HTR2CHTR2AHTR2BIDO1
SCHEMBL4098671 0.84 SLC6A4 (0.50) HTR2AIDO1
SCHEMBL4098677 0.84 SLC6A4 (0.50) HTR2AIDO1
SCHEMBL4088917 0.82 HTR2A (0.43) HTR2CHTR2AHTR2BIDO1LMNA
SCHEMBL4097291 0.82 HTR2A (0.43) HTR2CHTR2AHTR2BIDO1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292292-A1 Treatment of Neurodegenerative Diseases Using Indatraline Analogs LINK MEDICINE CORPORATION (US) 2010-11-18 US disclosed
US-7618967-B2 Indane compounds H. LUNDBECK A/S (DK) 2009-11-17 US disclosed
US-7618967-B2 Indane compounds H. LUNDBECK A/S (DK) 2009-11-17 US disclosed
US-7618967-B2 Indane compounds H. LUNDBECK A/S (DK) 2009-11-17 US disclosed
WO-2009106559-A1 USES OF INDANE COMPOUNDS H. LUNDBECK A/S (DK) 2009-09-03 WO disclosed
WO-2009106559-A1 USES OF INDANE COMPOUNDS H. LUNDBECK A/S (DK) 2009-09-03 WO disclosed
US-20090215774-A1 USES OF INDANE COMPOUNDS H. LUNDBECK A/S (DK) 2009-08-27 US disclosed
US-20090215774-A1 USES OF INDANE COMPOUNDS H. LUNDBECK A/S (DK) 2009-08-27 US disclosed
US-20090215774-A1 USES OF INDANE COMPOUNDS H. LUNDBECK A/S (DK) 2009-08-27 US disclosed
US-20080058329-A1 NOVEL INDANE COMPOUNDS H. LUNDBECK A/S (DK) 2008-03-06 US disclosed
US-20080058329-A1 NOVEL INDANE COMPOUNDS H. LUNDBECK A/S (DK) 2008-03-06 US disclosed
US-20080058329-A1 NOVEL INDANE COMPOUNDS H. LUNDBECK A/S (DK) 2008-03-06 US disclosed
WO-2008025361-A1 3-(1H-INDOL-3-YL) INDAN-1-YLAMINE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AND ANXIETY H. LUNDBECK A/S (DK) 2008-03-06 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 (3 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 HTR2C 2/4885HTR2A 15/4885HTR2B 36/4885
US-20090215774-A1 USES OF INDANE COMPOUNDS GPR119, INSR, IRS1 HTR2C 76/4885HTR2A 103/4885HTR2B 194/4885
US-20100292292-A1 Treatment of Neurodegenerative Diseases Using Indatraline Analogs HTT, SNCA, PARK7 HTR2C 348/4885HTR2A 62/4885HTR2B 199/4885

“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.