SCHEMBL5995380

SCHEMBL5995380

CCc1ccc(OCCCN2CCC(c3noc4cc(F)ccc34)CC2)c(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.83
DRD2 P14416 4/20 0.83
HTR2A P28223 4/20 0.83
HRH3 Q9Y5N1 3/20 0.83
ABCB11 O95342 1/20 0.75
CHRM2 P08172 1/20 0.75
ADRA2A P08913 1/20 0.75
CHRM1 P11229 1/20 0.75
ADRA2B P18089 1/20 0.75
ADRA2C P18825 1/20 0.75
DRD1 P21728 1/20 0.75
DRD4 P21917 1/20 0.75
ACHE P22303 1/20 0.75
SLC6A2 P23975 1/20 0.75
HTR2C P28335 1/20 0.75
SLC6A4 P31645 1/20 0.75
CCKBR P32239 1/20 0.75
ADRA1A P35348 1/20 0.75
HRH1 P35367 1/20 0.75
OPRM1 P35372 1/20 0.75

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
Hydrochloric Acid SCHEMBL1544871 0.99 HTR1A (0.82) HTR1ADRD2HTR2AHRH3ABCB11
SCHEMBL9005353 0.93 HTR1A (0.81) HTR1ADRD2HTR2AHRH3ABCB11
SCHEMBL8788175 0.91 HTR1A (0.77) HTR1ADRD2HTR2AHRH3ABCB11
Hydrochloric Acid SCHEMBL7775068 0.90 HTR1A (0.76) HTR1ADRD2HTR2AHRH3ABCB11
SCHEMBL9101152 0.90 HTR1A (0.68) HTR1ADRD2HTR2AHRH3ABCB11
SCHEMBL8346535 0.90 HTR1A (0.77) HTR1ADRD2HTR2AHRH3ABCB11
SCHEMBL1545700 0.89 HTR1A (0.80) HTR1ADRD2HTR2AHRH3ABCB11
SCHEMBL1544998 0.89 HTR1A (0.74) HTR1ADRD2HTR2AHRH3ABCB11
SCHEMBL1546355 0.89 HTR1A (0.76) HTR1ADRD2HTR2AHRH3ABCB11
SCHEMBL27523253 0.88 HTR1A (0.73) HTR1ADRD2HTR2AHRH3ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39198-E1 Heteroarylpiperidines, pyrrolidines and piperazines and their use as antipsychotics and analgesics AVENTIS PHARMACEUTICALS INC. (US) 2006-07-18 US claimed
US-5364866-A Side effect reduction HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1994-11-15 US claimed
EP-0612318-A1 HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-08-31 EP claimed
EP-0542136-A1 Heteroarylpiperidines, pyrrolidines and piperazines and their use as antipsychotics and analgetics HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-05-19 EP claimed
WO-1993009102-A1 HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1993-05-13 WO claimed
US-20240016791-A1 ILOPERIDONE METABOLITE FOR USE IN THE TREATMENT OF PSYCHIATRIC DISORDERS VANDA PHARMACEUTICALS INC. 2024-01-18 US disclosed
US-20210015809-A1 ILOPERIDONE METABOLITE FOR USE IN THE TREATMENT OF PSYCHIATRIC DISORDERS VANDA PHARMACEUTICALS INC. 2021-01-21 US disclosed
US-10874659-B2 Iloperidone metabolite for use in the treatment of psychiatric disorders VANDA PHARMACEUTICALS INC. (US) 2020-12-29 US disclosed
US-5561128-A ANALGESICS; ANTIPSYCHOTIC AGENTS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1996-10-01 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 (3 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-20240016791-A1 ILOPERIDONE METABOLITE FOR USE IN THE TREATMENT OF PSYCHIATRIC DISORDERS CYP2C8, RGS8, UGT1A8 HTR1A 49/4885DRD2 36/4885HTR2A 27/4885
US-20210015809-A1 ILOPERIDONE METABOLITE FOR USE IN THE TREATMENT OF PSYCHIATRIC DISORDERS CYP2C8, RGS8, UGT1A8 HTR1A 49/4885DRD2 36/4885HTR2A 27/4885
US-10874659-B2 Iloperidone metabolite for use in the treatment of psychiatric disorders CYP2C8, RGS8, UGT1A8 HTR1A 49/4885DRD2 36/4885HTR2A 27/4885

“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.