SCHEMBL760833

SCHEMBL760833

CC(=O)NCCc1csc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.67
MTNR1B P49286 4/20 0.67
IDO1 P14902 1/20 0.64
PKM P14618 2/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
TSHR P16473 1/20 0.54
CYP2C19 P33261 1/20 0.54
BLM P54132 1/20 0.54
KMT2A Q03164 1/20 0.54
CYP2A6 P11509 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
TP53 P04637 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52
TAAR1 Q96RJ0 1/20 0.50

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
SCHEMBL4332333 0.86 MTNR1A (0.65) MTNR1AMTNR1BIDO1CYP2A6SMN1; SMN2
SCHEMBL14521480 0.85 IDO1 (0.61) MTNR1AMTNR1BIDO1CYP2C19KMT2A
SCHEMBL14615462 0.83 IDO1 (0.59) MTNR1AMTNR1BIDO1CYP2A6SMN1; SMN2
SCHEMBL8132742 0.83 MTNR1A (0.67) MTNR1AMTNR1BIDO1
SCHEMBL14615472 0.82 IDO1 (0.57) MTNR1AMTNR1BIDO1CYP2A6SMN1; SMN2
SCHEMBL5347056 0.81 MTNR1A (0.74) MTNR1AMTNR1BIDO1CYP1A2BLM
SCHEMBL14615597 0.81 IDO1 (0.56) MTNR1AMTNR1BIDO1CYP2A6SMN1; SMN2
SCHEMBL27709630 0.81 IDO1 (0.56) MTNR1AMTNR1BIDO1CYP2A6SMN1; SMN2
SCHEMBL8130906 0.81 MTNR1A (0.65) MTNR1AMTNR1BIDO1MEN1CYP1A2
SCHEMBL6076645 0.80 MTNR1A (0.72) MTNR1AMTNR1BCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194524-A1 Compounds For the Inhibition of Undesired Cell Proliferation and Use Thereof JERINI AG (DE) 2008-08-14 US claimed
US-8138218-B2 Growth hormone secretagogues IPSEN PHARMA S.A.S. (FR) 2012-03-20 US disclosed
US-20090131478-A1 Growth Hormone Secretagogues IPSEN PHARMA S.A.S. (FR) 2009-05-21 US disclosed
US-20080194524-A1 Compounds For the Inhibition of Undesired Cell Proliferation and Use Thereof JERINI AG (DE) 2008-08-14 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-5616575-A COCAINE ADDICTION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1997-04-01 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 (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-20080194524-A1 Compounds For the Inhibition of Undesired Cell Proliferation and Use Thereof CCNB1, CCNB2, CCNA1 MTNR1A 586/4885MTNR1B 498/4885IDO1 1432/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 MTNR1A 194/4885MTNR1B 337/4885IDO1 166/4885
US-20090131478-A1 Growth Hormone Secretagogues GHSR, GHRHR, GHITM MTNR1A 478/4885MTNR1B 262/4885IDO1 3416/4885

“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.