SCHEMBL13051100

SCHEMBL13051100

NCC1CC(c2ccccc2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.47
HTR2A P28223 6/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR2C P28335 7/20 0.46
HTR2B P41595 6/20 0.46
MAOB P27338 2/20 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
SCHEMBL1388099 0.79 SIGMAR1 (0.55) SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL11242609 0.78 SIGMAR1 (0.49) SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL11308894 0.78 SIGMAR1 (0.41) SIGMAR1HTR2AMEN1KMT2AHTR2C
SCHEMBL11294227 0.78 SIGMAR1 (0.47) SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL11318314 0.78 SIGMAR1 (0.41) SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL7552511 0.78 KDM1A (0.42) SIGMAR1HTR2AMEN1KMT2AHTR2C
SCHEMBL11287871 0.77 SIGMAR1 (0.41) SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL13050844 0.77 SIGMAR1 (0.47) SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL13050822 0.77 HTR2C (0.54) SIGMAR1HTR2C
SCHEMBL13050838 0.77 HTR2C (0.54) SIGMAR1HTR2C

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 3 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-20100292292-A1 Treatment of Neurodegenerative Diseases Using Indatraline Analogs LINK MEDICINE CORPORATION (US) 2010-11-18 US disclosed
WO-2009036275-A1 TREATMENT OF NEURODEGENERATIVE DISEASES USING INDATRALINE ANALOGS LINK MEDICINE CORPORATION (US) 2009-03-19 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-20100292292-A1 Treatment of Neurodegenerative Diseases Using Indatraline Analogs HTT, SNCA, PARK7 SIGMAR1 980/4885HTR2A 62/4885MEN1 2809/4885

“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.