SCHEMBL2390962

SCHEMBL2390962

CN1CCN(c2cc(O)ccc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.44
KDM4E B2RXH2 5/20 0.43
MAPT P10636 5/20 0.43
DRD2 P14416 2/20 0.43
DRD1 P21728 2/20 0.43
DRD3 P35462 2/20 0.43
DRD5 P21918 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR3E A5X5Y0 2/20 0.42
HTR3B O95264 2/20 0.42
HTR3A P46098 2/20 0.42
HTR3D Q70Z44 2/20 0.42
HTR3C Q8WXA8 2/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL2940380 0.83 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL17659123 0.81 DRD2 (0.51) ALDH1A1L3MBTL1POLBKDM4EMAPT
SCHEMBL19262490 0.81 ALDH1A1 (0.64) ALDH1A1L3MBTL1POLBKDM4EMAPT
SCHEMBL13993849 0.80 HTR1A (0.50) ALDH1A1L3MBTL1POLBKDM4EMAPT
SCHEMBL7366715 0.79 KDM4E (0.51) ALDH1A1POLBKDM4EMAPTDRD2
SCHEMBL16803397 0.79 KDM4E (0.67) ALDH1A1L3MBTL1POLBKDM4EMAPT
SCHEMBL9300032 0.79 MAPT (0.60) ALDH1A1L3MBTL1POLBKDM4EMAPT
SCHEMBL24309781 0.76 MAPT (0.62) ALDH1A1L3MBTL1POLBKDM4EMAPT
SCHEMBL29566344 0.76 MAPT (0.62) ALDH1A1L3MBTL1POLBKDM4EMAPT
SCHEMBL24446023 0.76 MAPT (0.48) ALDH1A1L3MBTL1KDM4EMAPTDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
CN-101415691-B Triazole derivatives TAISHO PHARMACEUTICAL CO.,LTD. (JP) 2011-12-14 CN disclosed
US-20110269960-A1 TRIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-11-03 US disclosed
US-20110269960-A1 TRIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-11-03 US disclosed
US-20110269960-A1 TRIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-11-03 US disclosed
US-8022091-B2 Triazole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 US disclosed
US-8022091-B2 Triazole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 US disclosed
US-8022091-B2 Triazole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 US disclosed
US-20100041655-A1 TRIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US disclosed
US-20100041655-A1 TRIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US disclosed
US-20100041655-A1 TRIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US disclosed
CN-101415691-A Triazole derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 2009-04-22 CN disclosed
EP-1988083-A1 TRIAZOLE DERIVATIVE Taisho Pharmaceutical Co. Ltd. (JP) 2008-11-05 EP 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B ALDH1A1 3992/4885L3MBTL1 4300/4885POLB 3593/4885
US-20110269960-A1 TRIAZOLE DERIVATIVE S1PR3, S1PR1, S1PR5 ALDH1A1 2519/4885L3MBTL1 2797/4885POLB 4784/4885
US-20100041655-A1 TRIAZOLE DERIVATIVE S1PR3, S1PR1, S1PR5 ALDH1A1 2599/4885L3MBTL1 2859/4885POLB 4776/4885

“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.