Sugi Predict

Sugi Predict / Compounds / SCHEMBL6847321

SCHEMBL6847321

SCHEMBL6847321

[CH2]CCNCc1cccnc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.71
▸ CYP2D6 P10635 1/20 0.71
▸ CHRM2 P08172 1/20 0.69
▸ ALDH1A1 P00352 4/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ HTT P42858 1/20 0.53
▸ SCN8A Q9UQD0 1/20 0.52
▸ LTA4H P09960 1/20 0.51
▸ TP53 P04637 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ RECQL P46063 1/20 0.49

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
SCHEMBL19031318 0.88 CYP1A2 (0.83) CYP1A2CYP2D6CHRM2ALDH1A1NPSR1
SCHEMBL29875178 0.88 CYP1A2 (0.83) CYP1A2CYP2D6CHRM2ALDH1A1NPSR1
SCHEMBL11594897 0.85 CHRM2 (0.93) CYP1A2CYP2D6CHRM2ALDH1A1NPSR1
SCHEMBL7214218 0.85 CYP1A2 (0.77) CYP1A2CYP2D6CHRM2ALDH1A1NPSR1
SCHEMBL2861457 0.84 CYP1A2 (1.00) CYP1A2CYP2D6CHRM2ALDH1A1NPSR1
SCHEMBL29761159 0.83 CYP1A2 (0.74) CYP1A2CYP2D6CHRM2ALDH1A1NPSR1
SCHEMBL16606308 0.83 CYP1A2 (0.74) CYP1A2CYP2D6CHRM2ALDH1A1NPSR1
SCHEMBL29870183 0.83 CYP1A2 (0.74) CYP1A2CYP2D6CHRM2ALDH1A1NPSR1
SCHEMBL4051279 0.83 CYP1A2 (0.74) CYP1A2CYP2D6CHRM2ALDH1A1NPSR1
Hydrochloric Acid SCHEMBL6121350 0.82 CYP1A2 (0.95) CYP1A2CYP2D6CHRM2ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101282941-A Imidazole compounds for the treatment of neurological disorders PFIZER (US) 2008-10-08 — — CN claimed
US-6768024-B1 CONTROLLING OBESITY, SEXUAL DYSFUNCTION OR INFLAMMATION LION BIOSCIENCE AG (DE) 2004-07-27 — — US claimed
WO-2002012166-A2 TRIAMINE DERIVATIVE MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME LION BIOSCIENCE AG (DE) 2002-02-14 — — WO claimed
CN-111182898-B Methods for treating huntington's disease PTC医疗公司 2024-04-16 — — CN disclosed
US-20240067646-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. 2024-02-29 — — US disclosed
US-20230310651-A1 METHODS FOR MODULATING RNA SPLICING PTC THERAPEUTICS, INC. (US) 2023-10-05 — — US disclosed
EP-4249472-A2 METHODS FOR MODULATING RNA SPLICING PTC Therapeutics, Inc. (US) 2023-09-27 — — EP disclosed
US-11753407-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2023-09-12 — — US disclosed
US-20230272367-A1 METHODS FOR MODULATING RNA SPLICING PTC THERAPEUTICS, INC. (US) 2023-08-31 — — US disclosed
EP-3644996-B1 METHODS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2023-07-26 — — EP disclosed
US-11702646-B2 Methods for modulating RNA splicing PTC THERAPEUTICS, INC. (US) 2023-07-18 — — US disclosed
WO-2013112788-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-08-01 — — WO disclosed
WO-2013101974-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-07-04 — — WO disclosed
CN-101282941-A Imidazole compounds for the treatment of neurological disorders PFIZER (US) 2008-10-08 — — CN disclosed
US-6768024-B1 CONTROLLING OBESITY, SEXUAL DYSFUNCTION OR INFLAMMATION LION BIOSCIENCE AG (DE) 2004-07-27 — — US disclosed
WO-2002012166-A2 TRIAMINE DERIVATIVE MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME LION BIOSCIENCE AG (DE) 2002-02-14 — — WO disclosed
US-20020010182-A1 Piperazine derivatives as tachykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-24 — — US disclosed
US-6087357-A Piperazine derivatives as tachykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-11 — — US disclosed
EP-0873320-A1 PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-28 — — EP disclosed
WO-1997022597-A1 PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-06-26 — — 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 (6 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-20240067646-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 CYP1A2 4324/4885CYP2D6 4593/4885CHRM2 2327/4885
US-20230272367-A1 METHODS FOR MODULATING RNA SPLICING RBM17, SNRPE, HNRNPM CYP1A2 4151/4885CYP2D6 4366/4885CHRM2 4383/4885
US-11702646-B2 Methods for modulating RNA splicing RBM17, SNRPE, HNRNPM CYP1A2 4151/4885CYP2D6 4366/4885CHRM2 4383/4885
US-20020010182-A1 Piperazine derivatives as tachykinin antagonists PKD2, SSTR5, TAC3 CYP1A2 2723/4885CYP2D6 2982/4885CHRM2 1130/4885
US-20230310651-A1 METHODS FOR MODULATING RNA SPLICING RBM17, SNRPE, RBM3 CYP1A2 4330/4885CYP2D6 4512/4885CHRM2 4150/4885
US-11753407-B2 Compounds for treating spinal muscular atrophy SMN1; SMN2, CPT1B, GYS1 CYP1A2 4094/4885CYP2D6 3271/4885CHRM2 1045/4885

“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.