SCHEMBL326537

SCHEMBL326537

CC(Br)c1c(Cl)cccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
PNMT P11086 1/20 0.41
ALDH1A1 P00352 5/20 0.40
LMNA P02545 2/20 0.40
GLA P06280 1/20 0.40
P2RX7 Q99572 1/20 0.39
CYP2A6 P11509 2/20 0.39
TSHR P16473 3/20 0.38
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL10830813 0.86 CA1 (0.37) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL16118268 0.81 CA1 (0.41) CYP3A4ALDH1A1LMNASMN1; SMN2
SCHEMBL18242660 0.79 CYP1A2 (0.41) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL4500753 0.78 TSHR (0.53) CYP1A2CYP3A4ALDH1A1LMNATSHR
SCHEMBL2353810 0.78 CYP1A2 (0.44) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL279564 0.78 CYP1A2 (0.44) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL10831862 0.77 CYP3A4 (0.35) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL3109909 0.76 CYP1A2 (0.43) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL18242077 0.75 CYP1A2 (0.39) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL23212908 0.74 CYP1A2 (0.41) CYP1A2CYP3A4CYP2D6NFKB1PNMT

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11427598-B2 Spiro-cyclic amine derivatives as S1P modulators AbbVie Deutschland GmbH & Co. KG (DE) 2022-08-30 US disclosed
CN-108368107-B Fused heterocyclic compounds as S1P modulators 艾伯维公司 2021-11-26 CN disclosed
US-20210130364-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2021-05-06 US disclosed
US-10807991-B2 Spiro-cyclic amine derivatives as S1P modulators ABBVIE B.V. (NL) 2020-10-20 US disclosed
US-10556907-B2 Fused heterocyclic compounds as S1P modulators AbbVie Deutschland GmbH & Co. KG (DE) 2020-02-11 US disclosed
US-20190218227-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2019-07-18 US disclosed
US-10179791-B2 Spiro-cyclic amine derivatives as S1P modulators ABBVIE B.V. (NL) 2019-01-15 US disclosed
EP-3341369-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Inc. (US) 2018-07-04 EP disclosed
US-9951084-B2 Spiro-cyclic amine derivatives as S1P modulators Abb Vie B.V. (NL) 2018-04-24 US disclosed
EP-3144312-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS AbbVie B.V. (NL) 2017-03-22 EP disclosed
EP-1077940-B1 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER (US) 2004-07-14 EP disclosed
US-6610711-B2 4-phenylpiperidines for the treatment of pruritic dermatoses PFIZER INC. 2003-08-26 US disclosed
US-20030078282-A1 Novel 4-phenylpiperidines for the treatment of pruritic dermatoses PFIZER INC. 2003-04-24 US disclosed
EP-1077940-A1 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER INC. (US) 2001-02-28 EP disclosed
WO-1999059971-A1 NOVEL 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER INC. (US) 1999-11-25 WO disclosed
EP-0620809-B1 $g(a)-SUBSTITUTED BENZENEMETHANAMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 1997-03-05 EP disclosed
US-5480912-A Method of treating HIV-1 with α-substituted benzenemethanamine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 1996-01-02 US disclosed
US-5407961-A Useful for treating HIV-1 virus JANSSEN PHARMACEUTICA N.V. (BE) 1995-04-18 US disclosed
EP-0620809-A1 -g(a)-SUBSTITUTED BENZENEMETHANAMINE DERIVATIVES. JANSSEN PHARMACEUTICA NV (BE) 1994-10-26 EP disclosed
WO-1993013052-A1 α-SUBSTITUTED BENZENEMETHANAMINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-08 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 (7 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-11427598-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR1, S1PR3, S1PR2 CYP1A2 2219/4885CYP3A4 2725/4885CYP2D6 2268/4885
US-20190218227-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 CYP1A2 2125/4885CYP3A4 2603/4885CYP2D6 2231/4885
US-10807991-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR1, S1PR3, S1PR2 CYP1A2 2219/4885CYP3A4 2725/4885CYP2D6 2268/4885
US-10179791-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR3, S1PR1, S1PR2 CYP1A2 2164/4885CYP3A4 1499/4885CYP2D6 2188/4885
US-20030078282-A1 Novel 4-phenylpiperidines for the treatment of pruritic dermatoses HRH2, HRH4, HRH1 CYP1A2 156/4885CYP3A4 619/4885CYP2D6 370/4885
US-20210130364-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 CYP1A2 2219/4885CYP3A4 2725/4885CYP2D6 2268/4885
US-10556907-B2 Fused heterocyclic compounds as S1P modulators S1PR1, S1PR2, S1PR3 CYP1A2 3529/4885CYP3A4 3446/4885CYP2D6 4423/4885

“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.