SCHEMBL2777939

SCHEMBL2777939

COc1ccc2[nH]cc(C3CCCNC3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.58
MTNR1B P49286 1/20 0.58
HTR2A P28223 5/20 0.55
HTR2C P28335 4/20 0.55
HTR2B P41595 1/20 0.55
IDO1 P14902 1/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
HTR1A P08908 3/20 0.47
HTR4 Q13639 1/20 0.46
PDE4D Q08499 1/20 0.46
SLC6A4 P31645 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
Hydrochloric Acid SCHEMBL18441075 0.99 MTNR1A (0.57) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL25079811 0.92 HTR2C (0.58) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL6358819 0.92 HTR2C (0.58) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL25079814 0.92 HTR2C (0.58) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL18474137 0.85 MTNR1A (0.65) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL2264043 0.84 HTR2C (0.60) MTNR1AMTNR1BHTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL11847902 0.83 HTR2C (0.59) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL2781869 0.80 SLC6A4 (0.56) HTR2AHTR2CHTR2BHTR1ASLC6A4
SCHEMBL2783286 0.80 SLC6A4 (0.54) HTR2AHTR2CIDO1HTR1ASLC6A4
SCHEMBL3546634 0.80 CYP1A2 (0.58) MTNR1AMTNR1BHTR2CSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017023894-A1 MTHFD2 INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-02-09 WO disclosed
US-7759385-B2 4-substituted 1-aminocyclohexane compounds for utilization as ORL1-receptor and mu-opiate receptor ligands GRUENENTHAL GMBH (DE) 2010-07-20 US disclosed
US-20050277674-A1 4-substituted 1-aminocyclohexane compounds for utilization as ORL1-receptor and mu-opiate receptor ligands GRUENENTHAL GMBH (DE) 2005-12-15 US disclosed
US-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-06-23 US disclosed
US-20050101623-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-05-12 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-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAPKAPK2, MAP4K2, MAP3K2 MTNR1A 1886/4885MTNR1B 766/4885HTR2A 1004/4885
US-20050101623-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAP4K2, MAPKAPK2, MAP3K2 MTNR1A 2502/4885MTNR1B 1005/4885HTR2A 1384/4885
US-20050277674-A1 4-substituted 1-aminocyclohexane compounds for utilization as ORL1-receptor and mu-opiate receptor ligands OPRL1, OPRM1, OGFRL1 MTNR1A 253/4885MTNR1B 304/4885HTR2A 353/4885

“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.