SCHEMBL3092500

SCHEMBL3092500

[CH2]C(C)(C)c1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.45
TSHR P16473 6/20 0.43
LMNA P02545 2/20 0.43
CYP19A1 P11511 3/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
OPRK1 P41145 2/20 0.37
KCNH2 Q12809 2/20 0.37
ADRA1A P35348 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
CYP3A4 P08684 3/20 0.35
CYP3A5 P20815 1/20 0.35
MAPK1 P28482 2/20 0.34
KCNA3 P22001 2/20 0.34
HSD11B1 P28845 2/20 0.33
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
CYP2D6 P10635 2/20 0.33
NFKB1 P19838 2/20 0.33

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
SCHEMBL28794219 0.81 KCNN4 (0.52) KCNN4TSHRLMNACYP19A1HTR2A
SCHEMBL18242369 0.80 KCNN4 (0.45) KCNN4TSHRLMNAHTR2AHTR2C
SCHEMBL7571745 0.79 KCNN4 (0.48) KCNN4TSHRLMNACYP19A1HTR2A
SCHEMBL78489 0.79 TSHR (0.50) KCNN4TSHRLMNACYP19A1HTR2A
Formaldehyde SCHEMBL27601295 0.78 ALDH1A1 (0.44) KCNN4TSHRLMNAHTR2AHTR2C
SCHEMBL28826593 0.77 KCNN4 (0.46) KCNN4TSHRLMNACYP19A1HTR2A
SCHEMBL6683028 0.77 KCNN4 (0.46) KCNN4TSHRLMNACYP19A1HTR2A
Benzene SCHEMBL28296949 0.77 KCNN4 (0.52) KCNN4TSHRLMNACYP19A1HTR2A
SCHEMBL6683582 0.77 KCNN4 (0.46) KCNN4TSHRLMNACYP19A1HTR2A
Chlorobenzene SCHEMBL28295200 0.76 TSHR (0.50) KCNN4TSHRLMNACYP19A1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1893941-A Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC (JP) 2007-01-10 CN claimed
EP-3798217-B1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2023-02-22 EP disclosed
CN-110563717-B Piperidine CXCR7 receptor modulators 爱杜西亚药品有限公司 2022-08-09 CN disclosed
CN-109563085-B Piperidine CXCR7 receptor modulators 爱杜西亚药品有限公司 2022-08-09 CN disclosed
EP-3490986-B1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-11-24 EP disclosed
EP-3798217-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2021-03-31 EP disclosed
US-20200385373-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-10 US disclosed
US-10752620-B2 Piperdine CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2020-08-25 US disclosed
CN-110563717-A piperidine CXCR7receptor modulators 爱杜西亚药品有限公司 2019-12-13 CN disclosed
US-20190169180-A1 PIPERDINE CXCR7 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2019-06-06 US disclosed
EP-3490986-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2019-06-05 EP disclosed
WO-2018019929-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2018-02-01 WO disclosed
US-20100234220-A1 Oxooxetanes as Fungicidal Agents BAYER CROPSCIENCE AG (DE) 2010-09-16 US disclosed
CN-1893941-A Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC (JP) 2007-01-10 CN disclosed
WO-1998043649-A2 AGE PRODUCTION INHIBITORY COMPOSITION COMPRISING A MAILLARD REACTION INHIBITOR AND VITAMIN B¿6? OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-10-08 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 (4 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-20100234220-A1 Oxooxetanes as Fungicidal Agents CYP51A1, PNPO, AOX1 KCNN4 849/4885TSHR 3912/4885LMNA 4347/4885
US-20200385373-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, ACKR3 KCNN4 4391/4885TSHR 246/4885LMNA 4843/4885
US-20190169180-A1 PIPERDINE CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, ACKR3 KCNN4 4181/4885TSHR 262/4885LMNA 4841/4885
US-10752620-B2 Piperdine CXCR7 receptor modulators CXCR1, CXCR5, ACKR3 KCNN4 4181/4885TSHR 262/4885LMNA 4841/4885

“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.