SCHEMBL6483188

SCHEMBL6483188

OCC(OC[C@]1(c2ccccc2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 1.00
KCNH2 Q12809 1/20 0.57
SLC6A4 P31645 2/20 0.51

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
SCHEMBL6495857 1.00 TACR1 (1.00) TACR1KCNH2SLC6A4
SCHEMBL6484633 1.00 TACR1 (1.00) TACR1KCNH2SLC6A4
SCHEMBL6484641 1.00 TACR1 (1.00) TACR1KCNH2SLC6A4
SCHEMBL6482692 0.88 TACR1 (1.00) TACR1KCNH2SLC6A4
SCHEMBL6482696 0.88 TACR1 (1.00) TACR1KCNH2SLC6A4
SCHEMBL6492406 0.88 TACR1 (1.00) TACR1KCNH2SLC6A4
SCHEMBL6482486 0.88 TACR1 (0.78) TACR1KCNH2SLC6A4
SCHEMBL6481995 0.88 TACR1 (0.78) TACR1KCNH2SLC6A4
SCHEMBL6492103 0.88 TACR1 (0.78) TACR1KCNH2SLC6A4
SCHEMBL6492091 0.88 TACR1 (0.78) TACR1KCNH2SLC6A4

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
US-6881737-B2 Substituted triazinyl acrylamide derivatives and methods of use AMGEN INC. (US) 2005-04-19 US claimed
US-20030139416-A1 Substituted triazinyl acrylamide derivatives and methods of use AMGEN INC. 2003-07-24 US claimed
US-6953792-B2 Cyclohexyl derivatives and their use as therapeutic agents MERCK SHARP & DOHME LIMITED (GB) 2005-10-11 US disclosed
US-6881737-B2 Substituted triazinyl acrylamide derivatives and methods of use AMGEN INC. (US) 2005-04-19 US disclosed
US-20030225059-A1 Cyclohexyl derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2003-12-04 US disclosed
US-20030139416-A1 Substituted triazinyl acrylamide derivatives and methods of use AMGEN INC. 2003-07-24 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-20030139416-A1 Substituted triazinyl acrylamide derivatives and methods of use PKD1, PKD2, GLS TACR1 981/4885KCNH2 2151/4885SLC6A4 113/4885
US-20030225059-A1 Cyclohexyl derivatives and their use as therapeutic agents CNR2, CNR1, HRH2 TACR1 389/4885KCNH2 211/4885SLC6A4 2537/4885

“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.