SCHEMBL4417249

SCHEMBL4417249

[CH2]C(C)C(CCCCCCC)CCCCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.46
SPHK1 Q9NYA1 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
DNM1 Q05193 2/20 0.42
ADH1B P00325 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
ADH4 P08319 1/20 0.40
ADH7 P40394 1/20 0.40
ACE2 Q9BYF1 1/20 0.39
GPR84 Q9NQS5 3/20 0.38
FDPS P14324 3/20 0.38
FFAR1 O14842 1/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL28524991 1.00 OPRM1 (0.46) OPRM1SPHK1LMNATSHRTHRB
SCHEMBL28154751 0.90 OPRM1 (0.42) OPRM1SPHK1LMNATSHRTHRB
SCHEMBL28153724 0.90 OPRM1 (0.42) OPRM1SPHK1LMNATSHRTHRB
SCHEMBL28277593 0.90 OPRM1 (0.42) OPRM1SPHK1LMNATSHRTHRB
SCHEMBL28154740 0.90 OPRM1 (0.42) OPRM1SPHK1LMNATSHRTHRB
SCHEMBL28361753 0.90 OPRM1 (0.42) OPRM1SPHK1LMNATSHRTHRB
SCHEMBL28153736 0.90 OPRM1 (0.42) OPRM1SPHK1LMNATSHRTHRB
SCHEMBL28271638 0.90 OPRM1 (0.42) OPRM1SPHK1LMNATSHRTHRB
SCHEMBL1968956 0.90 OPRM1 (0.42) OPRM1SPHK1LMNATSHRTHRB
SCHEMBL28161643 0.90 OPRM1 (0.42) OPRM1SPHK1LMNATSHRTHRB

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-7622581-B2 6,7,8,9-substituted 1-phenyl-1,5-dihydro-pyrido[3,2-b]indol-2-ones useful as anti-infective pharmaceutical agents TIBOTEC PHARMACEUTICALS LTD. (IE) 2009-11-24 US disclosed
US-20070167434-A1 6,7,8,9-Substituted 1-phenyl-1,5-dihydro-pyrido[3,2-b]indol-2-ones useful as anti-infective pharmaceutical agents TIBOTEC BVBA (BE) 2007-07-19 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 (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-20070167434-A1 6,7,8,9-Substituted 1-phenyl-1,5-dihydro-pyrido[3,2-b]indol-2-ones useful as anti-infective pharmaceutical agents HRH4, CBR1, HRH2 OPRM1 82/4885SPHK1 3473/4885LMNA 3482/4885

“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.