SCHEMBL8551038

SCHEMBL8551038

CCCCOc1ccc(N2CCNCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 0.62
SIGMAR1 Q99720 3/20 0.62
HTR3E A5X5Y0 2/20 0.62
HTR3B O95264 2/20 0.62
HTR3A P46098 2/20 0.62
HTR3D Q70Z44 2/20 0.62
HTR3C Q8WXA8 2/20 0.62
LTA4H P09960 4/20 0.54
KCNH2 Q12809 2/20 0.50
HRH3 Q9Y5N1 2/20 0.50
CYP1A2 P05177 2/20 0.50
MAPK1 P28482 2/20 0.50
HRH2 P25021 1/20 0.50
HRH1 P35367 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
HTR2A P28223 1/20 0.50
SCN1A P35498 1/20 0.50
HTR2B P41595 1/20 0.50

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
SCHEMBL11498486 0.97 ADRB1 (0.58) ADRB1SIGMAR1HTR3EHTR3BHTR3A
SCHEMBL30020652 0.95 ADRB1 (0.57) ADRB1SIGMAR1HTR3EHTR3BHTR3A
SCHEMBL7331350 0.95 ADRB1 (0.57) ADRB1SIGMAR1HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL6539950 0.94 ADRB1 (0.55) ADRB1SIGMAR1HTR3EHTR3BHTR3A
SCHEMBL8811069 0.93 ADRB1 (0.62) ADRB1SIGMAR1HTR3EHTR3BHTR3A
SCHEMBL4723068 0.90 SIGMAR1 (0.50) ADRB1SIGMAR1HTR3EHTR3BHTR3A
SCHEMBL2155052 0.86 ADRB1 (0.66) ADRB1SIGMAR1HTR3EHTR3BHTR3A
SCHEMBL6132814 0.86 ADRB1 (0.61) ADRB1SIGMAR1HTR3EHTR3BHTR3A
SCHEMBL7083865 0.86 ADRB1 (0.57) ADRB1SIGMAR1HTR3EHTR3BHTR3A
SCHEMBL5465106 0.85 MAPT (0.61) ALDH1A1MAPTHPGDTSHRTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220324880-A1 SMARCA INHIBITORS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2022-10-13 US disclosed
WO-2020251974-A1 SMARCA INHIBITORS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed
WO-2020251974-A1 SMARCA INHIBITORS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed
EP-0836599-A1 1,6-DISUBSTITUTED ISOCHROMANS FOR TREATMENT OF MIGRAINE HEADACHES PHARMACIA & UPJOHN COMPANY (US) 1998-04-22 EP disclosed
WO-1997002259-A1 1,6-DISUBSTITUTED ISOCHROMANS FOR TREATMENT OF MIGRAINE HEADACHES PHARMACIA & UPJOHN COMPANY (US) 1997-01-23 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 (1 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-20220324880-A1 SMARCA INHIBITORS AND USES THEREOF SMARCA1, SMARCE1, PBRM1 ADRB1 3433/4885SIGMAR1 3185/4885HTR3E 3325/4885

“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.