SCHEMBL19829315

SCHEMBL19829315

CCOC(=O)C1CCN(C(=O)c2ccc3cc(C)ccc3c2)CC1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.69
GLA P06280 1/20 0.67
NPC1 O15118 3/20 0.65
RAB9A P51151 3/20 0.65
POLB P06746 2/20 0.65
PARP10 Q53GL7 1/20 0.61
MAPT P10636 1/20 0.59
THRB P10828 1/20 0.58
GAA P10253 1/20 0.58
ALDH1A1 P00352 1/20 0.57
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 1/20 0.56

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
SCHEMBL12911161 0.90 TSHR (0.69) TSHRGLANPC1RAB9APARP10
SCHEMBL19829316 0.89 TSHR (0.67) TSHRGLANPC1RAB9APOLB
SCHEMBL16309014 0.88 TSHR (0.58) TSHRGLANPC1RAB9APOLB
SCHEMBL14409571 0.87 TSHR (0.70) TSHRGLANPC1RAB9APOLB
SCHEMBL12569718 0.85 TSHR (0.68) TSHRGLANPC1RAB9APOLB
SCHEMBL7610899 0.82 GLA (0.61) TSHRGLANPC1RAB9APOLB
SCHEMBL19831807 0.82 TSHR (0.58) TSHRGLANPC1RAB9APOLB
SCHEMBL314589 0.80 TSHR (0.75) TSHRGLARAB9AMAPTGAA
SCHEMBL3339277 0.80 TSHR (0.67) TSHRGLANPC1POLBGAA
SCHEMBL4172039 0.80 TSHR (0.67) TSHRGLANPC1POLBPARP10

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-10034869-B2 S1P modulating agents BIOGEN MA INC. (US) 2018-07-31 US disclosed
US-20180028511-A1 S1P MODULATING AGENTS BIOGEN IDEC MA 2018-02-01 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-10034869-B2 S1P modulating agents S1PR2, S1PR1, S1PR3 TSHR 659/4885GLA 3374/4885NPC1 174/4885
US-20180028511-A1 S1P MODULATING AGENTS S1PR2, S1PR1, S1PR3 TSHR 521/4885GLA 3222/4885NPC1 331/4885

“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.