SCHEMBL16600231

SCHEMBL16600231

[CH2]C(=O)N1CCC(c2ccc(F)cc2)C1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.61
NPC1 O15118 6/20 0.61
ATM Q13315 1/20 0.61
MAPT P10636 3/20 0.58
SMN1; SMN2 Q16637 5/20 0.53
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.53
PARP10 Q53GL7 2/20 0.50
FAAH O00519 1/20 0.46
TP53 P04637 2/20 0.46
POLB P06746 1/20 0.46
PROKR1 Q8TCW9 1/20 0.45
NAMPT P43490 1/20 0.45
CCR1 P32246 2/20 0.44
TSHR P16473 1/20 0.44
PARP14 Q460N5 1/20 0.44
HPGD P15428 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL2937123 0.85 RAB9A (0.67) RAB9ANPC1ATMMAPTSMN1; SMN2
SCHEMBL2937126 0.85 RAB9A (0.67) RAB9ANPC1ATMMAPTSMN1; SMN2
SCHEMBL30693168 0.84 RAB9A (0.61) RAB9ANPC1ATMMAPTSMN1; SMN2
SCHEMBL1197267 0.83 RAB9A (0.63) RAB9ANPC1ATMMAPTSMN1; SMN2
SCHEMBL16600285 0.81 HSD11B1 (0.56) RAB9ANPC1ATMMAPTSMN1; SMN2
SCHEMBL28036178 0.80 RAB9A (0.55) RAB9ANPC1ATMMAPTSMN1; SMN2
SCHEMBL2636274 0.78 RAB9A (0.57) RAB9ANPC1ATMMAPTSMN1; SMN2
SCHEMBL19995606 0.77 RAB9A (0.54) RAB9ANPC1ATMMAPTSMN1; SMN2
SCHEMBL19996004 0.77 RAB9A (0.54) RAB9ANPC1ATMMAPTSMN1; SMN2
SCHEMBL4099888 0.77 RAB9A (0.57) RAB9ANPC1ATMMAPTSMN1; SMN2

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-9850203-B2 Autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2017-12-26 US disclosed
EP-3049405-A1 AUTOTAXIN INHIBITOR COMPOUNDS Pharmakea Inc. (US) 2016-08-03 EP disclosed
US-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS DF 2024 IP ACQUISITION, LLC 2016-07-28 US disclosed
WO-2015048301-A1 AUTOTAXIN INHIBITOR COMPOUNDS PHARMAKEA, INC. (US) 2015-04-02 WO 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-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS ENPP2, SERPINB1, SERPINE1 RAB9A 2156/4885NPC1 2262/4885ATM 3076/4885

“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.