SCHEMBL266641

SCHEMBL266641

CCCCc1c[nH]c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.68
HTR2A P28223 5/20 0.63
HTR1A P08908 4/20 0.63
HTR6 P50406 2/20 0.63
CYP3A4 P08684 3/20 0.62
HTR2C P28335 2/20 0.62
CYP1A2 P05177 2/20 0.62
CYP2D6 P10635 2/20 0.62
MPO P05164 1/20 0.62
CYP2A6 P11509 1/20 0.62
NFKB1 P19838 1/20 0.62
HTR1D P28221 1/20 0.62
HTR1B P28222 1/20 0.62
HTR7 P34969 1/20 0.62
CTSK P43235 1/20 0.62
CYP2A13 Q16696 1/20 0.62
TAAR1 Q96RJ0 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
NPC1 O15118 1/20 0.62
ALDH1A1 P00352 2/20 0.62

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
Ammonia Solution, Strong SCHEMBL10491416 0.98 SLC6A4 (0.66) SLC6A4HTR2AHTR1AHTR6CYP3A4
SCHEMBL109955 0.95 SLC6A4 (0.66) SLC6A4HTR2AHTR1AHTR6CYP3A4
SCHEMBL1563873 0.93 SLC6A4 (0.64) SLC6A4HTR2AHTR1AHTR6CYP3A4
SCHEMBL22582285 0.93 SLC6A4 (0.64) SLC6A4HTR2AHTR1AHTR6CYP3A4
SCHEMBL13856893 0.93 SLC6A4 (0.64) SLC6A4HTR2AHTR1AHTR6CYP3A4
SCHEMBL25140788 0.93 SLC6A4 (0.64) SLC6A4HTR2AHTR1AHTR6CYP3A4
SCHEMBL24961938 0.93 SLC6A4 (0.64) SLC6A4HTR2AHTR1AHTR6CYP3A4
SCHEMBL20648101 0.93 SLC6A4 (0.64) SLC6A4HTR2AHTR1AHTR6CYP3A4
SCHEMBL8079335 0.93 SLC6A4 (0.64) SLC6A4HTR2AHTR1AHTR6CYP3A4
SCHEMBL29414676 0.89 HTR2A (0.72) SLC6A4HTR2AHTR1AHTR6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017160361-A1 POLYISOCYANURATE CATALYSTS FOR METAL PANELS AND SPRAY FOAMS HUNTSMAN PETROCHEMICAL LLC (US) 2017-09-21 WO claimed
US-4925901-A STORAGE STAABILITY, ONIUM ION CATALYST THE DOW CHEMICAL COMPANY (US) 1990-05-15 US claimed
US-11910795-B2 Natural indole auxin and aminopolycarboxylic acid herbicidal compositions SUNCOR ENERGY INC. (CA) 2024-02-27 US disclosed
EP-4276533-A1 CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION AND RESIST PATTERN FORMING PROCESS Shin-Etsu Chemical Co., Ltd. (JP) 2023-11-15 EP disclosed
US-20230357146-A1 PRODRUGS AND CONJUGATES OF DIMETHYLTRYPTAMINE ATAI THERAPEUTICS, INC. 2023-11-09 US disclosed
US-20230330240-A1 TECHNOLOGIES FOR PREVENTING OR TREATING INFECTIONS BIOHAVEN THERAPEUTICS LTD (US) 2023-10-19 US disclosed
EP-4198630-A1 CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION AND RESIST PATTERN FORMING PROCESS Shin-Etsu Chemical Co., Ltd. (JP) 2023-06-21 EP disclosed
US-20230158154-A1 CONJUGATES COMPRISING A PHOSPHORUS (V) AND A CAMPTOTHECIN MOIETY TUBULIS GMBH (DE) 2023-05-25 US disclosed
US-11643391-B2 Prodrugs and conjugates of dimethyltryptamine ATAI THERAPEUTICS, INC. 2023-05-09 US disclosed
EP-3265447-B1 BENZOXAZINE LOW TEMPERATURE CURABLE COMPOSITION HUNTSMAN ADVANCED MAT AMERICAS LLC (US) 2023-03-01 EP disclosed
EP-3458061-B1 POTENT AND SELECTIVE MU OPIOID RECEPTOR MODULATORS UNIV VIRGINIA COMMONWEALTH (US) 2023-01-18 EP disclosed
EP-0458502-A2 Latent catalysts, cure-inhibited epoxy resin compositions and laminates prepared therefrom THE DOW CHEMICAL COMPANY (US) 1991-11-27 EP disclosed
WO-1991013952-A1 IMPROVED MULTIFUNCTIONAL VISCOSITY INDEX IMPROVER-DISPERSANT ANTIOXIDANT (PT-789) EXXON CHEMICAL PATENTS INC. (US) 1991-09-19 WO disclosed
WO-1991013954-A1 NOVEL HETEROCYCLIC NITROGEN COMPOUND MANNICH BASE DERIVATIVES OF AMINO-SUBSTITUTED POLYMERS FOR OLEAGINOUS COMPOSITIONS EXXON CHEMICAL PATENTS INC. (US) 1991-09-19 WO disclosed
US-4925901-A STORAGE STAABILITY, ONIUM ION CATALYST THE DOW CHEMICAL COMPANY (US) 1990-05-15 US disclosed
EP-0328020-A2 Use of a catalyst in epoxy compositions THE DOW CHEMICAL COMPANY (US) 1989-08-16 EP disclosed
US-4066763-A Thiazinoindoles useful as antidepressants AYERST MCKENNA AND HARRISON LTD. (CA) 1978-01-03 US disclosed
US-4031087-A INSECTICIDES SHELL OIL COMPANY (US) 1977-06-21 US disclosed
US-4012511-A ANTIULCER AGENTS AYERST MCKENNA & HARRISON LTD. (CA) 1977-03-15 US disclosed
US-3962236-A ANTIDEPRESSANTS, ANTI-ULCER AYERST MCKENNA AND HARRISON LTD. (CA) 1976-06-08 US 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 (5 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-20230357146-A1 PRODRUGS AND CONJUGATES OF DIMETHYLTRYPTAMINE NPY1R, NPY5R, NPY2R SLC6A4 18/4885HTR2A 12/4885HTR1A 5/4885
US-11643391-B2 Prodrugs and conjugates of dimethyltryptamine NPY1R, NPY5R, NPY2R SLC6A4 18/4885HTR2A 12/4885HTR1A 5/4885
US-11910795-B2 Natural indole auxin and aminopolycarboxylic acid herbicidal compositions DDC, AADAT, IDO1 SLC6A4 118/4885HTR2A 189/4885HTR1A 446/4885
US-20230158154-A1 CONJUGATES COMPRISING A PHOSPHORUS (V) AND A CAMPTOTHECIN MOIETY CALCR, PTH1R, BCR SLC6A4 3415/4885HTR2A 2975/4885HTR1A 3245/4885
US-20230330240-A1 TECHNOLOGIES FOR PREVENTING OR TREATING INFECTIONS HAVCR2, ACE2, EPCAM SLC6A4 4277/4885HTR2A 1810/4885HTR1A 3533/4885

“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.