SCHEMBL10241597

SCHEMBL10241597

CCn1cc(OC[C@@]2(C3C=CC=CC3)C[C@H]2C(=O)Nc2ccc(F)cc2)c(C)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 10/20 0.42
HCRTR1 O43613 9/20 0.42
KCNH2 Q12809 6/20 0.35
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
LMNA P02545 1/20 0.32
NOTUM Q6P988 1/20 0.31

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
SCHEMBL10241656 0.93 HCRTR2 (0.43) HCRTR2HCRTR1KCNH2TSHRSMN1; SMN2
SCHEMBL10239683 0.89 HCRTR2 (0.41) HCRTR2HCRTR1KCNH2
SCHEMBL10239953 0.88 HCRTR2 (0.42) HCRTR2HCRTR1KCNH2TSHRSMN1; SMN2
SCHEMBL10239720 0.87 HCRTR1 (0.34) HCRTR2HCRTR1KCNH2TSHRSMN1; SMN2
SCHEMBL10239944 0.85 HCRTR2 (0.40) HCRTR2HCRTR1TSHRSMN1; SMN2GAA
SCHEMBL10241598 0.85 HCRTR1 (0.35) HCRTR2HCRTR1KCNH2SMN1; SMN2POLB
SCHEMBL10239681 0.85 HCRTR2 (0.51) HCRTR2HCRTR1KCNH2TSHRSMN1; SMN2
SCHEMBL10240707 0.84 HCRTR2 (0.41) HCRTR2HCRTR1SMN1; SMN2POLBALDH1A1
SCHEMBL10266452 0.83 HCRTR1 (0.53) HCRTR2HCRTR1KCNH2
SCHEMBL10241665 0.82 HCRTR2 (0.65) HCRTR2HCRTR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165339-A1 CYCLOPROPANE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-28 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-20120165339-A1 CYCLOPROPANE DERIVATIVES HCRTR2, HCRTR1, CNR1 HCRTR2 1/4885HCRTR1 2/4885KCNH2 1409/4885

“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.