SCHEMBL1994060

SCHEMBL1994060

CC(C)(C)OC(=O)N1CCC(Cc2c[nH]c3ccccc23)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.53
TACR3 P29371 1/20 0.53
POLB P06746 2/20 0.53
KDM4E B2RXH2 2/20 0.52
PKM P14618 1/20 0.52
SLC6A4 P31645 1/20 0.51
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.51
BCHE P06276 1/20 0.48
GLA P06280 1/20 0.48
HTR6 P50406 2/20 0.48
GPR119 Q8TDV5 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL5726423 0.85 BRD3 (0.55) SLC6A4GPR119
SCHEMBL1405373 0.82 KDM4E (0.57) KDM4EPKMGPR119
SCHEMBL19838382 0.82 GPR119 (0.47) KDM4EMAPTTHRBGPR119
SCHEMBL557776 0.81 KDM4E (0.70) POLBKDM4EMAPTTHRBGPR119
SCHEMBL12167363 0.81 HTR6 (0.60) POLBBCHEHTR6HDAC3HDAC4
SCHEMBL12303282 0.81 HTR6 (0.60) POLBBCHEHTR6HDAC3HDAC4
SCHEMBL823070 0.81 POLB (0.52) POLBKDM4EMAPTHTR6ALDH1A1
SCHEMBL819282 0.81 POLB (0.52) POLBKDM4EMAPTHTR6ALDH1A1
Hydrochloric Acid SCHEMBL1703924 0.81 KDM4E (0.68) POLBKDM4EGPR119BRD4ALDH1A1
SCHEMBL16112711 0.80 KDM4E (0.58) KDM4EPKMGPR119KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114605385-B Indole piperidine urea TRPV1 antagonism/FAAH inhibition double-target drug, preparation method and application 河南大学 2023-09-08 CN disclosed
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO TACR1 184/4885TACR3 1322/4885POLB 3713/4885

“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.