SCHEMBL17123797

SCHEMBL17123797

Fc1ccccc1OC1CCC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.57
HTR1A P08908 7/20 0.57
SLC6A3 Q01959 4/20 0.57
LPAR1 Q92633 1/20 0.46
LPAR5 Q9H1C0 1/20 0.46
SLC6A4 P31645 1/20 0.46
FPR2 P25090 1/20 0.43
PROKR1 Q8TCW9 1/20 0.43
HTR2C P28335 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT1 Q99873 1/20 0.41
PDE4D Q08499 1/20 0.41
HRH1 P35367 2/20 0.41

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
SCHEMBL9538522 0.94 SLC6A2 (0.56) SLC6A2HTR1ASLC6A3LPAR1LPAR5
SCHEMBL29966 0.91 SLC6A2 (0.61) SLC6A2HTR1ASLC6A3LPAR1LPAR5
SCHEMBL9957545 0.84 SLC6A2 (0.44) SLC6A2HTR1ASLC6A3LPAR1LPAR5
SCHEMBL15294475 0.84 MCHR1 (0.52) SLC6A2HTR1ASLC6A3LPAR1LPAR5
SCHEMBL18186077 0.82 SLC6A2 (0.53) SLC6A2HTR1ASLC6A3LPAR1LPAR5
SCHEMBL12181083 0.82 SLC6A2 (0.53) SLC6A2HTR1ASLC6A3LPAR1LPAR5
SCHEMBL234010 0.82 SLC6A2 (0.81) SLC6A2HTR1ASLC6A3SLC6A4HTR2C
SCHEMBL16571016 0.82 SLC6A2 (0.53) SLC6A2HTR1ASLC6A3LPAR1LPAR5
SCHEMBL2298389 0.82 SLC6A2 (0.53) SLC6A2HTR1ASLC6A3LPAR1LPAR5
Hydrochloric Acid SCHEMBL3466964 0.81 SLC6A2 (0.79) SLC6A2HTR1ASLC6A3SLC6A4HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-09 US disclosed
US-20150274736-A1 PDE9i with imidazo pyrazinone backbone SUNDIA MEDITECH COMPANY, LTD. (CN) 2015-10-01 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 (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-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders CFD, F12, F3 SLC6A2 2764/4885HTR1A 830/4885SLC6A3 3030/4885
US-20150274736-A1 PDE9i with imidazo pyrazinone backbone PDE9A, PDE5A, PDE12 SLC6A2 903/4885HTR1A 1281/4885SLC6A3 504/4885

“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.