SCHEMBL4886371

SCHEMBL4886371

CCC(C(=O)O)n1c(CCc2ccc(F)cc2F)nc(=O)c2cccnc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 4/20 0.37
▸ HTR2C P28335 4/20 0.37
▸ P2RX3 P56373 1/20 0.37
▸ MAPT P10636 3/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ENPP2 Q13822 5/20 0.36
▸ P2RY1 P47900 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL4890172 0.93 PTGDR2 (0.38) P2RX3MAPTENPP2PPARGPTGDR2
SCHEMBL4992976 0.86 CYP2C9 (0.43) MAPTKDM4EALDH1A1HPGDPOLB
SCHEMBL2802492 0.80 PTGDR2 (0.42) HTR2AHTR2CMAPTENPP2TP53
SCHEMBL13125169 0.77 MEN1 (0.48) P2RX3MAPTKDM4EALDH1A1HPGD
SCHEMBL2802517 0.69 PTGDR2 (0.52) KDM4EPTGDR2
SCHEMBL1522662 0.68 POLB (0.42) MAPTKDM4EALDH1A1KCNH2POLB
SCHEMBL4718292 0.67 CYP2C9 (0.48) MAPTKDM4EPTGDR2
SCHEMBL4718153 0.65 MAPT (0.48) MAPTENPP2TP53PTGDR2
SCHEMBL2807725 0.65 CYP2C9 (0.55) MAPTKDM4EENPP2PTGDR2
SCHEMBL3515500 0.64 HTR2A (0.41) HTR2AHTR2CMAPTKDM4EKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150183748-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY 2015-07-02 — — US disclosed
US-20080103156-A1 Bicyclic Heteroaromatic Compounds GLAXO GROUP LIMITED (GB) 2008-05-01 — — US disclosed
US-20080090851-A1 Bicyclic Heteroaromatic Compounds GLAXO GROUP LIMITED (GB) 2008-04-17 — — US disclosed
US-20080090852-A1 Bicyclic Heteroaromatic Compounds GLAXO GROUP LIMITED (GB) 2008-04-17 — — 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 (4 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-20080090851-A1 Bicyclic Heteroaromatic Compounds CYP11B1, CYP46A1, CYP11B2 HTR2A 3969/4885HTR2C 2733/4885P2RX3 2966/4885
US-20080090852-A1 Bicyclic Heteroaromatic Compounds CYP11B1, CYP46A1, CYP11B2 HTR2A 4103/4885HTR2C 2866/4885P2RX3 2980/4885
US-20150183748-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS LPL, LPAR1, PLA2G1B HTR2A 422/4885HTR2C 1968/4885P2RX3 545/4885
US-20080103156-A1 Bicyclic Heteroaromatic Compounds CYP11B1, CYP46A1, CYP11B2 HTR2A 3969/4885HTR2C 2733/4885P2RX3 2966/4885

“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.

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